From 1c80c9455bd9edc29364146fe203faa73893b111 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 14:58:57 -0400 Subject: [PATCH 01/48] whitespace fixes --- doc/src/fix_precession_spin.rst | 16 +++++++------- src/SPIN/fix_langevin_spin.h | 2 +- src/SPIN/fix_nve_spin.cpp | 26 +++++++++++------------ src/SPIN/fix_nve_spin.h | 8 +++---- src/SPIN/fix_precession_spin.cpp | 36 ++++++++++++++++---------------- src/SPIN/fix_precession_spin.h | 2 +- 6 files changed, 45 insertions(+), 45 deletions(-) diff --git a/doc/src/fix_precession_spin.rst b/doc/src/fix_precession_spin.rst index 183753db5f..9bf9db24e1 100644 --- a/doc/src/fix_precession_spin.rst +++ b/doc/src/fix_precession_spin.rst @@ -125,10 +125,10 @@ axis along the :math:`(1 1 1)`-type cube diagonals). :math:`K_2^c > diagonals. See chapter 2 of :ref:`(Skomski) ` for more details on cubic anisotropies. -Style *stt* is used to simulate the interaction between the spins and +Style *stt* is used to simulate the interaction between the spins and a spin-transfer torque. -See equation (7) of :ref:`(Chirac) ` for more details about the -implemented spin-transfer torque term. +See equation (7) of :ref:`(Chirac) ` for more details about the +implemented spin-transfer torque term. In all cases, the choice of :math:`(x y z)` only imposes the vector directions for the forces. Only the direction of the vector is @@ -139,12 +139,12 @@ Those styles can be combined within one single command line. .. note:: - The norm of all vectors defined with the precession/spin command + The norm of all vectors defined with the precession/spin command have to be non-zero. For example, defining "fix 1 all precession/spin zeeman 0.1 0.0 0.0 0.0" would result - in an error message. + in an error message. Since those vector components are used to compute the inverse of the - field (or anisotropy) vector norm, setting a zero-vector would result + field (or anisotropy) vector norm, setting a zero-vector would result in a division by zero. ---------- @@ -197,6 +197,6 @@ Oxford University Press. .. _Chirac1: -**(Chirac)** Chirac, Théophile, et al. Ultrafast antiferromagnetic -switching in NiO induced by spin transfer torques. +**(Chirac)** Chirac, Théophile, et al. Ultrafast antiferromagnetic +switching in NiO induced by spin transfer torques. Physical Review B 102.13 (2020): 134415. diff --git a/src/SPIN/fix_langevin_spin.h b/src/SPIN/fix_langevin_spin.h index 090e5b666a..baa1cb1c84 100644 --- a/src/SPIN/fix_langevin_spin.h +++ b/src/SPIN/fix_langevin_spin.h @@ -34,7 +34,7 @@ class FixLangevinSpin : public Fix { void init(); void setup(int); void add_tdamping(double *, double *); // add transverse damping - void add_temperature(int, double *, double *); + void add_temperature(int, double *, double *); void compute_single_langevin(int, double *, double *); protected: diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp index 5da7c32b6c..c394b943b7 100644 --- a/src/SPIN/fix_nve_spin.cpp +++ b/src/SPIN/fix_nve_spin.cpp @@ -60,7 +60,7 @@ enum{NONE}; FixNVESpin::FixNVESpin(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg), - pair(nullptr), spin_pairs(nullptr), locklangevinspin(nullptr), + pair(nullptr), spin_pairs(nullptr), locklangevinspin(nullptr), locksetforcespin(nullptr), lockprecessionspin(nullptr), rsec(nullptr), stack_head(nullptr), stack_foot(nullptr), backward_stacks(nullptr), forward_stacks(nullptr) @@ -75,7 +75,7 @@ FixNVESpin::FixNVESpin(LAMMPS *lmp, int narg, char **arg) : nlocal_max = 0; npairs = 0; npairspin = 0; - + // test nprec nprecspin = nlangspin = nsetspin = 0; @@ -221,22 +221,22 @@ void FixNVESpin::init() } // set ptrs for fix precession/spin styles - + // loop 1: obtain # of fix precession/spin styles - + int iforce; for (iforce = 0; iforce < modify->nfix; iforce++) { if (strstr(modify->fix[iforce]->style,"precession/spin")) { nprecspin++; } } - + // init length of vector of ptrs to precession/spin styles if (nprecspin > 0) { lockprecessionspin = new FixPrecessionSpin*[nprecspin]; } - + // loop 2: fill vector with ptrs to precession/spin styles int count2 = 0; @@ -249,26 +249,26 @@ void FixNVESpin::init() } } } - + if (count2 != nprecspin) error->all(FLERR,"Incorrect number of fix precession/spin"); // set ptrs for fix langevin/spin styles - + // loop 1: obtain # of fix langevin/spin styles - + for (iforce = 0; iforce < modify->nfix; iforce++) { if (strstr(modify->fix[iforce]->style,"langevin/spin")) { nlangspin++; } } - + // init length of vector of ptrs to precession/spin styles if (nlangspin > 0) { locklangevinspin = new FixLangevinSpin*[nprecspin]; } - + // loop 2: fill vector with ptrs to precession/spin styles count2 = 0; @@ -281,10 +281,10 @@ void FixNVESpin::init() } } } - + if (count2 != nlangspin) error->all(FLERR,"Incorrect number of fix precession/spin"); - + // ptrs FixSetForceSpin classes for (iforce = 0; iforce < modify->nfix; iforce++) { diff --git a/src/SPIN/fix_nve_spin.h b/src/SPIN/fix_nve_spin.h index ac5bc57b25..73716bac26 100644 --- a/src/SPIN/fix_nve_spin.h +++ b/src/SPIN/fix_nve_spin.h @@ -65,15 +65,15 @@ friend class PairSpin; int nlangspin; class FixLangevinSpin **locklangevinspin; - + // pointers to fix setforce/spin styles - + int nsetspin; class FixSetForceSpin *locksetforcespin; // to be done - + // pointers to fix precession/spin styles - int nprecspin; + int nprecspin; class FixPrecessionSpin **lockprecessionspin; // pointers to magnetic pair styles diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp index 389ab1838d..c3f8a4d7df 100644 --- a/src/SPIN/fix_precession_spin.cpp +++ b/src/SPIN/fix_precession_spin.cpp @@ -143,7 +143,7 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : double norm2,inorm; if (zeeman_flag) { norm2 = nhx*nhx + nhy*nhy + nhz*nhz; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nhx *= inorm; @@ -153,7 +153,7 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : if (stt_flag) { norm2 = nsttx*nsttx + nstty*nstty + nsttz*nsttz; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nsttx *= inorm; @@ -163,7 +163,7 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : if (aniso_flag) { norm2 = nax*nax + nay*nay + naz*naz; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nax *= inorm; @@ -173,41 +173,41 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : if (cubic_flag) { norm2 = nc1x*nc1x + nc1y*nc1y + nc1z*nc1z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nc1x *= inorm; nc1y *= inorm; nc1z *= inorm; - + norm2 = nc2x*nc2x + nc2y*nc2y + nc2z*nc2z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nc2x *= inorm; nc2y *= inorm; nc2z *= inorm; - + norm2 = nc3x*nc3x + nc3y*nc3y + nc3z*nc3z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); nc3x *= inorm; nc3y *= inorm; nc3z *= inorm; } - + if (hexaniso_flag) { norm2 = n6x*n6x + n6y*n6y + n6z*n6z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); n6x *= inorm; n6y *= inorm; n6z *= inorm; - + norm2 = m6x*m6x + m6y*m6y + m6z*m6z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); m6x *= inorm; @@ -216,9 +216,9 @@ FixPrecessionSpin::FixPrecessionSpin(LAMMPS *lmp, int narg, char **arg) : l6x = (n6z*m6y-n6y*m6z); l6y = (n6x*m6z-n6z*m6x); l6z = (n6y*m6x-n6x*m6y); - + norm2 = l6x*l6x + l6y*l6y + l6z*l6z; - if (norm2 == 0.0) + if (norm2 == 0.0) error->all(FLERR,"Illegal precession/spin command"); inorm = 1.0/sqrt(norm2); l6x *= inorm; @@ -534,7 +534,7 @@ void FixPrecessionSpin::compute_hexaniso(double spi[3], double fmi[3]) double pf, phi, ssint2; // changing to the axes' frame - + s_x = l6x*spi[0]+l6y*spi[1]+l6z*spi[2]; s_y = m6x*spi[0]+m6y*spi[1]+m6z*spi[2]; s_z = n6x*spi[0]+n6y*spi[1]+n6z*spi[2]; @@ -571,7 +571,7 @@ double FixPrecessionSpin::compute_hexaniso_energy(double spi[3]) s_z = n6x*spi[0]+n6y*spi[1]+n6z*spi[2]; // hexagonal anisotropy in the axes' frame - + phi = atan2(s_y,s_z); ssint2 = s_x*s_x + s_y*s_y; @@ -589,13 +589,13 @@ void FixPrecessionSpin::set_magneticprecession() hy = H_field*nhy; hz = H_field*nhz; } - + if (stt_flag) { sttx = stt_field*nsttx; stty = stt_field*nstty; sttz = stt_field*nsttz; } - + if (aniso_flag) { Kax = 2.0*Kah*nax; Kay = 2.0*Kah*nay; diff --git a/src/SPIN/fix_precession_spin.h b/src/SPIN/fix_precession_spin.h index d06a04f8f1..ae3c94a94c 100644 --- a/src/SPIN/fix_precession_spin.h +++ b/src/SPIN/fix_precession_spin.h @@ -63,7 +63,7 @@ class FixPrecessionSpin : public Fix { double compute_cubic_energy(double *); // hexagonal aniso calculations - + void compute_hexaniso(double *, double *); double compute_hexaniso_energy(double *); From b4efeb977d5ffa62bf21e4620102e47ea9c46e0f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 18:12:24 -0400 Subject: [PATCH 02/48] update and sort lists of packages for different presets and categories --- cmake/presets/all_off.cmake | 20 ++++++++++---------- cmake/presets/all_on.cmake | 20 ++++++++++---------- cmake/presets/nolib.cmake | 9 +++++---- src/Makefile | 11 +++++------ 4 files changed, 30 insertions(+), 30 deletions(-) diff --git a/cmake/presets/all_off.cmake b/cmake/presets/all_off.cmake index bd94b9dbe5..9be6cfe54b 100644 --- a/cmake/presets/all_off.cmake +++ b/cmake/presets/all_off.cmake @@ -2,16 +2,16 @@ # an existing package selection without losing any other settings set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU - GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MLIAP - MOLECULE MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK - SNAP SPIN SRD VORONOI - USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK - USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP - USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD - USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP - USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP - USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ - USER-SPH USER-TALLY USER-UEF USER-VTK USER-YAFF) + GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MESSAGE MISC MLIAP MOLECULE + MPIIO MSCG OPT PERI PLUGIN POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN + SRD VORONOI + USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS + USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-INTEL + USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD USER-MESONT USER-MGPT + USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP USER-PACE USER-PHONON + USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP USER-REACTION USER-REAXC + USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF + USER-VTK USER-YAFF) foreach(PKG ${ALL_PACKAGES}) set(PKG_${PKG} OFF CACHE BOOL "" FORCE) diff --git a/cmake/presets/all_on.cmake b/cmake/presets/all_on.cmake index 438c119c4c..411fb09d6b 100644 --- a/cmake/presets/all_on.cmake +++ b/cmake/presets/all_on.cmake @@ -4,16 +4,16 @@ # with just a working C++ compiler and an MPI library. set(ALL_PACKAGES ASPHERE BODY CLASS2 COLLOID COMPRESS CORESHELL DIPOLE GPU - GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MISC MESSAGE MLIAP - MOLECULE MPIIO MSCG OPT PERI POEMS PYTHON QEQ REPLICA RIGID SHOCK - SNAP SPIN SRD VORONOI - USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK - USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP - USER-H5MD USER-INTEL USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD - USER-MESONT USER-MGPT USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP - USER-PHONON USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP - USER-REACTION USER-REAXC USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ - USER-SPH USER-TALLY USER-UEF USER-VTK USER-YAFF) + GRANULAR KIM KOKKOS KSPACE LATTE MANYBODY MC MESSAGE MISC MLIAP MOLECULE + MPIIO MSCG OPT PERI PLUGIN POEMS PYTHON QEQ REPLICA RIGID SHOCK SNAP SPIN + SRD VORONOI + USER-ADIOS USER-ATC USER-AWPMD USER-BOCS USER-CGDNA USER-CGSDK USER-COLVARS + USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF USER-FEP USER-H5MD USER-INTEL + USER-LB USER-MANIFOLD USER-MEAMC USER-MESODPD USER-MESONT USER-MGPT + USER-MISC USER-MOFFF USER-MOLFILE USER-NETCDF USER-OMP USER-PACE USER-PHONON + USER-PLUMED USER-PTM USER-QMMM USER-QTB USER-QUIP USER-REACTION USER-REAXC + USER-SCAFACOS USER-SDPD USER-SMD USER-SMTBQ USER-SPH USER-TALLY USER-UEF + USER-VTK USER-YAFF) foreach(PKG ${ALL_PACKAGES}) set(PKG_${PKG} ON CACHE BOOL "" FORCE) diff --git a/cmake/presets/nolib.cmake b/cmake/presets/nolib.cmake index 0245b58cc7..c9abb00a15 100644 --- a/cmake/presets/nolib.cmake +++ b/cmake/presets/nolib.cmake @@ -1,10 +1,11 @@ # preset that turns off all packages that require some form of external # library or special compiler (fortran or cuda) or equivalent. -set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MPIIO MSCG PYTHON - VORONOI USER-ADIOS USER-ATC USER-AWPMD USER-H5MD USER-LB - USER-MOLFILE USER-MESONT USER-NETCDF USER-PLUMED USER-QMMM USER-QUIP - USER-SCAFACOS USER-SMD USER-VTK) +set(PACKAGES_WITH_LIB COMPRESS GPU KIM KOKKOS LATTE MESSAGE MPIIO MSCG + PYTHON VORONOI + USER-ADIOS USER-ATC USER-AWPMD USER-H5MD USER-LB USER-MOLFILE USER-MESONT + USER-NETCDF USER-PACE USER-PLUMED USER-QMMM USER-QUIP USER-SCAFACOS + USER-SMD USER-VTK) foreach(PKG ${PACKAGES_WITH_LIB}) set(PKG_${PKG} OFF CACHE BOOL "" FORCE) diff --git a/src/Makefile b/src/Makefile index d5f0e600d6..1606f9b239 100644 --- a/src/Makefile +++ b/src/Makefile @@ -59,11 +59,10 @@ PACKUSER = user-adios user-atc user-awpmd user-bocs user-cgdna user-cgsdk user-c user-qtb user-quip user-reaction user-reaxc user-scafacos user-smd user-smtbq \ user-sdpd user-sph user-tally user-uef user-vtk user-yaff -PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems \ - python voronoi \ - user-adios user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \ - user-netcdf user-plumed user-qmmm user-quip user-scafacos \ - user-smd user-vtk user-mesont user-pace +PACKLIB = compress gpu kim kokkos latte message mpiio mscg poems python voronoi \ + user-adios user-atc user-awpmd user-colvars user-h5md user-lb user-mesont \ + user-molfile user-netcdf user-pace user-plumed user-qmmm user-quip \ + user-scafacos user-smd user-vtk PACKSYS = compress mpiio python user-lb @@ -71,7 +70,7 @@ PACKINT = gpu kokkos message poems user-atc user-awpmd user-colvars user-mesont PACKEXT = kim latte mscg voronoi \ user-adios user-h5md user-molfile user-netcdf user-pace user-plumed \ - user-qmmm user-quip user-smd user-vtk + user-qmmm user-quip user-scafacos user-smd user-vtk PACKALL = $(PACKAGE) $(PACKUSER) From 96baae29d0ff1c7c8011f2cbe73664dd1b420aba Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 22:01:07 -0400 Subject: [PATCH 03/48] fix bug flagged by compiler warning --- src/KOKKOS/atom_vec_spin_kokkos.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/KOKKOS/atom_vec_spin_kokkos.cpp b/src/KOKKOS/atom_vec_spin_kokkos.cpp index 399ab23a5f..c3464d3267 100644 --- a/src/KOKKOS/atom_vec_spin_kokkos.cpp +++ b/src/KOKKOS/atom_vec_spin_kokkos.cpp @@ -637,11 +637,12 @@ int AtomVecSpinKokkos::unpack_border_hybrid(int n, int first, double *buf) m = 0; last = first + n; - for (i = first; i < last; i++) + for (i = first; i < last; i++) { h_sp(i,0) = buf[m++]; h_sp(i,1) = buf[m++]; h_sp(i,2) = buf[m++]; h_sp(i,3) = buf[m++]; + } return m; } From a1e07d3f7547e219ca48c8392d163e786fa627be Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 22:01:33 -0400 Subject: [PATCH 04/48] fix memory leak in fix atom/swap reported on MatSci forum: https://matsci.org/t/question-to-fix-atom-swap-function/36135 --- src/MC/fix_atom_swap.cpp | 28 +++++++++++++++------------- 1 file changed, 15 insertions(+), 13 deletions(-) diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp index 954ce46aa6..d055d57b88 100644 --- a/src/MC/fix_atom_swap.cpp +++ b/src/MC/fix_atom_swap.cpp @@ -117,6 +117,21 @@ FixAtomSwap::FixAtomSwap(LAMMPS *lmp, int narg, char **arg) : } +/* ---------------------------------------------------------------------- */ + +FixAtomSwap::~FixAtomSwap() +{ + memory->destroy(type_list); + memory->destroy(mu); + memory->destroy(qtype); + memory->destroy(sqrt_mass_ratio); + memory->destroy(local_swap_iatom_list); + memory->destroy(local_swap_jatom_list); + if (regionflag) delete [] idregion; + delete random_equal; + delete random_unequal; +} + /* ---------------------------------------------------------------------- parse optional parameters at end of input line ------------------------------------------------------------------------- */ @@ -180,19 +195,6 @@ void FixAtomSwap::options(int narg, char **arg) /* ---------------------------------------------------------------------- */ -FixAtomSwap::~FixAtomSwap() -{ - memory->destroy(type_list); - memory->destroy(mu); - memory->destroy(qtype); - memory->destroy(sqrt_mass_ratio); - if (regionflag) delete [] idregion; - delete random_equal; - delete random_unequal; -} - -/* ---------------------------------------------------------------------- */ - int FixAtomSwap::setmask() { int mask = 0; From 4127faacec2253d8fdd4eb00a1621b6bfa548ee6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 22:02:18 -0400 Subject: [PATCH 05/48] substitute unicode general punctuation left/right single/double quotes --- src/utils.cpp | 12 ++++++++++++ 1 file changed, 12 insertions(+) diff --git a/src/utils.cpp b/src/utils.cpp index e733d7eaae..e8f1c63606 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -673,6 +673,18 @@ std::string utils::utf8_subst(const std::string &line) // ZERO WIDTH SPACE (U+200B) if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0x8bU)) out += ' ', i += 2; + // LEFT SINGLE QUOTATION MARK (U+2018) + if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0x98U)) + out += '\'', i += 2; + // RIGHT SINGLE QUOTATION MARK (U+2019) + if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0x99U)) + out += '\'', i += 2; + // LEFT DOUBLE QUOTATION MARK (U+201C) + if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0x9cU)) + out += '"', i += 2; + // RIGHT DOUBLE QUOTATION MARK (U+201D) + if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0x9dU)) + out += '"', i += 2; // NARROW NO-BREAK SPACE (U+202F) if ((in[i] == 0xe2U) && (in[i+1] == 0x80U) && (in[i+2] == 0xafU)) out += ' ', i += 2; From e7cb20efeb0083631ca893699c6e4b11741ded24 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Apr 2021 23:55:40 -0400 Subject: [PATCH 06/48] replace non-ASCII character in docs --- doc/src/fix_precession_spin.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/fix_precession_spin.rst b/doc/src/fix_precession_spin.rst index 9bf9db24e1..6a563bc32f 100644 --- a/doc/src/fix_precession_spin.rst +++ b/doc/src/fix_precession_spin.rst @@ -197,6 +197,6 @@ Oxford University Press. .. _Chirac1: -**(Chirac)** Chirac, Théophile, et al. Ultrafast antiferromagnetic +**(Chirac)** Chirac, Theophile, et al. Ultrafast antiferromagnetic switching in NiO induced by spin transfer torques. Physical Review B 102.13 (2020): 134415. From c2579391c08204ab49d97f00d0d8ce031c65ae58 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 00:03:57 -0400 Subject: [PATCH 07/48] silence compiler warnings --- src/KOKKOS/fix_eos_table_rx_kokkos.cpp | 6 +++--- src/KOKKOS/fix_rx_kokkos.cpp | 2 +- src/USER-PTM/compute_ptm_atom.cpp | 4 ++-- 3 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp index 4d181c2b41..095661a32b 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp @@ -531,11 +531,11 @@ void FixEOStableRXKokkos::create_kokkos_tables() h_table->hi[i] = tb->hi; h_table->invdelta[i] = tb->invdelta; - for (int j = 0; jr.extent(1); j++) + for (int j = 0; j < (int)h_table->r.extent(1); j++) h_table->r(i,j) = tb->r[j]; - for (int j = 0; je.extent(1); j++) + for (int j = 0; j < (int)h_table->e.extent(1); j++) h_table->e(i,j) = tb->e[j]; - for (int j = 0; jde.extent(1); j++) + for (int j = 0; j < (int)h_table->de.extent(1); j++) h_table->de(i,j) = tb->de[j]; } diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp index 036ecd1788..e512f19d1d 100644 --- a/src/KOKKOS/fix_rx_kokkos.cpp +++ b/src/KOKKOS/fix_rx_kokkos.cpp @@ -1451,7 +1451,7 @@ void FixRxKokkos::solve_reactions(const int /*vflag*/, const bool is { const int count = nlocal + (newton_pair ? nghost : 0); - if (count > k_dpdThetaLocal.template view().extent(0)) { + if (count > (int) k_dpdThetaLocal.template view().extent(0)) { memoryKK->destroy_kokkos (k_dpdThetaLocal, dpdThetaLocal); memoryKK->create_kokkos (k_dpdThetaLocal, dpdThetaLocal, count, "FixRxKokkos::dpdThetaLocal"); this->d_dpdThetaLocal = k_dpdThetaLocal.template view(); diff --git a/src/USER-PTM/compute_ptm_atom.cpp b/src/USER-PTM/compute_ptm_atom.cpp index 0622b9dcc0..95f1cf5ad9 100644 --- a/src/USER-PTM/compute_ptm_atom.cpp +++ b/src/USER-PTM/compute_ptm_atom.cpp @@ -204,7 +204,7 @@ static int get_neighbours(void* vdata, size_t central_index, size_t atom_index, int *jlist = nullptr; int jnum = 0; - if (atom_index < data->nlocal) { + if ((int)atom_index < data->nlocal) { jlist = data->firstneigh[atom_index]; jnum = data->numneigh[atom_index]; } @@ -221,7 +221,7 @@ static int get_neighbours(void* vdata, size_t central_index, size_t atom_index, continue; j &= NEIGHMASK; - if (j == atom_index) + if (j == (int)atom_index) continue; double dx = pos[0] - x[j][0]; From eb85edfb3db3ddb8263eed15a3c3c711a7f2e965 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 00:15:14 -0400 Subject: [PATCH 08/48] make naming of the compiled pace library consistent with those of other libs --- cmake/Modules/Packages/USER-PACE.cmake | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/cmake/Modules/Packages/USER-PACE.cmake b/cmake/Modules/Packages/USER-PACE.cmake index 66f228017c..2d88d3a313 100644 --- a/cmake/Modules/Packages/USER-PACE.cmake +++ b/cmake/Modules/Packages/USER-PACE.cmake @@ -20,7 +20,7 @@ file(GLOB PACE_EVALUATOR_SOURCES ${CMAKE_BINARY_DIR}/lammps-user-pace-*/USER-PAC list(FILTER PACE_EVALUATOR_SOURCES EXCLUDE REGEX pair_pace.cpp) add_library(pace STATIC ${PACE_EVALUATOR_SOURCES}) -set_target_properties(pace PROPERTIES OUTPUT_NAME pace${LAMMPS_MACHINE}) +set_target_properties(pace PROPERTIES OUTPUT_NAME lammps_pace${LAMMPS_MACHINE}) target_include_directories(pace PUBLIC ${PACE_EVALUATOR_INCLUDE_DIR}) target_link_libraries(lammps PRIVATE pace) From d405f2ec4b5faa4db404132be08e09df4a0b0422 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 22 Apr 2021 09:16:37 -0400 Subject: [PATCH 09/48] Update defines to use old neighbor code for CUDA >= 11.2 --- lib/gpu/lal_neighbor.h | 4 ++-- lib/gpu/lal_neighbor_gpu.cu | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/lib/gpu/lal_neighbor.h b/lib/gpu/lal_neighbor.h index 5939567a41..fb854a706c 100644 --- a/lib/gpu/lal_neighbor.h +++ b/lib/gpu/lal_neighbor.h @@ -26,8 +26,8 @@ #if !defined(USE_OPENCL) && !defined(USE_HIP) #ifndef LAL_USE_OLD_NEIGHBOR -// Issue with incorrect results with CUDA 11.2 -#if (CUDA_VERSION > 11019) && (CUDA_VERSION < 11030) +// Issue with incorrect results with CUDA >= 11.2 +#if (CUDA_VERSION > 11019) #define LAL_USE_OLD_NEIGHBOR #endif #endif diff --git a/lib/gpu/lal_neighbor_gpu.cu b/lib/gpu/lal_neighbor_gpu.cu index 2aca505396..b6db97f68a 100644 --- a/lib/gpu/lal_neighbor_gpu.cu +++ b/lib/gpu/lal_neighbor_gpu.cu @@ -34,8 +34,8 @@ _texture_2d( pos_tex,int4); #endif #ifdef NV_KERNEL -#if (__CUDACC_VER_MAJOR__ == 11) && (__CUDACC_VER_MINOR__ == 2) -// Issue with incorrect results in CUDA 11.2 +#if (__CUDACC_VER_MAJOR__ == 11) && (__CUDACC_VER_MINOR__ >= 2) +// Issue with incorrect results in CUDA >= 11.2 #define LAL_USE_OLD_NEIGHBOR #endif #endif From 0f1f49afa786c9694bbcdaca5206c386c7e5d53d Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 22 Apr 2021 12:52:30 -0400 Subject: [PATCH 10/48] Add more output to ocl_get_devices --- lib/gpu/geryon/ocl_device.h | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/lib/gpu/geryon/ocl_device.h b/lib/gpu/geryon/ocl_device.h index 435ee24dd3..4e9e42a3cf 100644 --- a/lib/gpu/geryon/ocl_device.h +++ b/lib/gpu/geryon/ocl_device.h @@ -728,6 +728,9 @@ void UCL_Device::print_all(std::ostream &out) { out << "\nDevice " << i << ": \"" << name(i).c_str() << "\"\n"; out << " Type of device: " << device_type_name(i).c_str() << std::endl; + out << " Supported OpenCL Version: " + << _properties[i].cl_device_version / 100 << "." + << _properties[i].cl_device_version % 100 << std::endl; out << " Is a subdevice: "; if (is_subdevice(i)) out << "Yes\n"; @@ -796,6 +799,16 @@ void UCL_Device::print_all(std::ostream &out) { out << "Yes\n"; else out << "No\n"; + out << " Subgroup support: "; + if (_properties[i].has_subgroup_support) + out << "Yes\n"; + else + out << "No\n"; + out << " Shuffle support: "; + if (_properties[i].has_shuffle_support) + out << "Yes\n"; + else + out << "No\n"; } } } From 0632922a9bf93d71019017b4fde58cdd519e0891 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 22 Apr 2021 12:54:13 -0400 Subject: [PATCH 11/48] Explicitly check for subgroup support instead of CL version --- lib/gpu/lal_base_atomic.cpp | 2 +- lib/gpu/lal_base_charge.cpp | 2 +- lib/gpu/lal_base_dipole.cpp | 2 +- lib/gpu/lal_base_dpd.cpp | 2 +- lib/gpu/lal_base_ellipsoid.cpp | 2 +- lib/gpu/lal_base_three.cpp | 2 +- 6 files changed, 6 insertions(+), 6 deletions(-) diff --git a/lib/gpu/lal_base_atomic.cpp b/lib/gpu/lal_base_atomic.cpp index d35919105d..6aad138aa1 100644 --- a/lib/gpu/lal_base_atomic.cpp +++ b/lib/gpu/lal_base_atomic.cpp @@ -335,7 +335,7 @@ void BaseAtomicT::compile_kernels(UCL_Device &dev, const void *pair_str, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_pair_fast.max_subgroup_size(_block_size); #if defined(LAL_OCL_EV_JIT) mx_subgroup_sz = std::min(mx_subgroup_sz, k_pair_noev.max_subgroup_size(_block_size)); diff --git a/lib/gpu/lal_base_charge.cpp b/lib/gpu/lal_base_charge.cpp index b0d08e4df7..9045420425 100644 --- a/lib/gpu/lal_base_charge.cpp +++ b/lib/gpu/lal_base_charge.cpp @@ -348,7 +348,7 @@ void BaseChargeT::compile_kernels(UCL_Device &dev, const void *pair_str, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_pair_fast.max_subgroup_size(_block_size); #if defined(LAL_OCL_EV_JIT) mx_subgroup_sz = std::min(mx_subgroup_sz, k_pair_noev.max_subgroup_size(_block_size)); diff --git a/lib/gpu/lal_base_dipole.cpp b/lib/gpu/lal_base_dipole.cpp index 9781065b13..439637cbde 100644 --- a/lib/gpu/lal_base_dipole.cpp +++ b/lib/gpu/lal_base_dipole.cpp @@ -356,7 +356,7 @@ void BaseDipoleT::compile_kernels(UCL_Device &dev, const void *pair_str, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_pair_fast.max_subgroup_size(_block_size); #if defined(LAL_OCL_EV_JIT) mx_subgroup_sz = std::min(mx_subgroup_sz, k_pair_noev.max_subgroup_size(_block_size)); diff --git a/lib/gpu/lal_base_dpd.cpp b/lib/gpu/lal_base_dpd.cpp index 4b6a964bfb..d3c3353415 100644 --- a/lib/gpu/lal_base_dpd.cpp +++ b/lib/gpu/lal_base_dpd.cpp @@ -356,7 +356,7 @@ void BaseDPDT::compile_kernels(UCL_Device &dev, const void *pair_str, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_pair_fast.max_subgroup_size(_block_size); #if defined(LAL_OCL_EV_JIT) mx_subgroup_sz = std::min(mx_subgroup_sz, k_pair_noev.max_subgroup_size(_block_size)); diff --git a/lib/gpu/lal_base_ellipsoid.cpp b/lib/gpu/lal_base_ellipsoid.cpp index 98411a8033..2e22b2f602 100644 --- a/lib/gpu/lal_base_ellipsoid.cpp +++ b/lib/gpu/lal_base_ellipsoid.cpp @@ -554,7 +554,7 @@ void BaseEllipsoidT::compile_kernels(UCL_Device &dev, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_lj_fast.max_subgroup_size(_block_size); mx_subgroup_sz = std::min(mx_subgroup_sz, k_ellipsoid.max_subgroup_size(_block_size)); mx_subgroup_sz = std::min(mx_subgroup_sz, k_sphere_ellipsoid.max_subgroup_size(_block_size)); diff --git a/lib/gpu/lal_base_three.cpp b/lib/gpu/lal_base_three.cpp index 660385eb56..15ef20230d 100644 --- a/lib/gpu/lal_base_three.cpp +++ b/lib/gpu/lal_base_three.cpp @@ -461,7 +461,7 @@ void BaseThreeT::compile_kernels(UCL_Device &dev, const void *pair_str, _compiled=true; #if defined(USE_OPENCL) && (defined(CL_VERSION_2_1) || defined(CL_VERSION_3_0)) - if (dev.cl_device_version() >= 210) { + if (dev.has_subgroup_support()) { size_t mx_subgroup_sz = k_pair.max_subgroup_size(_block_size); mx_subgroup_sz = std::min(mx_subgroup_sz, k_three_center.max_subgroup_size(_block_size)); mx_subgroup_sz = std::min(mx_subgroup_sz, k_three_end.max_subgroup_size(_block_size)); From 65cef12ae2fc441e99a9ea796308daa76416a3f3 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 16:10:51 -0400 Subject: [PATCH 12/48] print compiled in accelerator configuration with ./lmp -h --- src/info.cpp | 104 +++++++++++++++++++++++++------------------------ src/info.h | 1 + src/lammps.cpp | 3 ++ 3 files changed, 57 insertions(+), 51 deletions(-) diff --git a/src/info.cpp b/src/info.cpp index f1ee327191..18926ed49e 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -317,57 +317,8 @@ void Info::command(int narg, char **arg) } if (flags & ACCELERATOR) { - fputs("\nAccelerator configuration:\n\n",out); - std::string mesg; - if (has_package("GPU")) { - mesg = "GPU package API:"; - if (has_accelerator_feature("GPU","api","cuda")) mesg += " CUDA"; - if (has_accelerator_feature("GPU","api","hip")) mesg += " HIP"; - if (has_accelerator_feature("GPU","api","opencl")) mesg += " OpenCL"; - mesg += "\nGPU package precision:"; - if (has_accelerator_feature("GPU","precision","single")) mesg += " single"; - if (has_accelerator_feature("GPU","precision","mixed")) mesg += " mixed"; - if (has_accelerator_feature("GPU","precision","double")) mesg += " double"; - mesg += "\n"; - fputs(mesg.c_str(),out); - } - if (has_package("KOKKOS")) { - mesg = "KOKKOS package API:"; - if (has_accelerator_feature("KOKKOS","api","cuda")) mesg += " CUDA"; - if (has_accelerator_feature("KOKKOS","api","hip")) mesg += " HIP"; - if (has_accelerator_feature("KOKKOS","api","sycl")) mesg += " SYCL"; - if (has_accelerator_feature("KOKKOS","api","openmp")) mesg += " OpenMP"; - if (has_accelerator_feature("KOKKOS","api","serial")) mesg += " Serial"; - if (has_accelerator_feature("KOKKOS","api","pthreads")) mesg += " Pthreads"; - mesg += "\nKOKKOS package precision:"; - if (has_accelerator_feature("KOKKOS","precision","single")) mesg += " single"; - if (has_accelerator_feature("KOKKOS","precision","mixed")) mesg += " mixed"; - if (has_accelerator_feature("KOKKOS","precision","double")) mesg += " double"; - mesg += "\n"; - fputs(mesg.c_str(),out); - } - if (has_package("USER-OMP")) { - mesg = "USER-OMP package API:"; - if (has_accelerator_feature("USER-OMP","api","openmp")) mesg += " OpenMP"; - if (has_accelerator_feature("USER-OMP","api","serial")) mesg += " Serial"; - mesg += "\nUSER-OMP package precision:"; - if (has_accelerator_feature("USER-OMP","precision","single")) mesg += " single"; - if (has_accelerator_feature("USER-OMP","precision","mixed")) mesg += " mixed"; - if (has_accelerator_feature("USER-OMP","precision","double")) mesg += " double"; - mesg += "\n"; - fputs(mesg.c_str(),out); - } - if (has_package("USER-INTEL")) { - mesg = "USER-INTEL package API:"; - if (has_accelerator_feature("USER-INTEL","api","phi")) mesg += " Phi"; - if (has_accelerator_feature("USER-INTEL","api","openmp")) mesg += " OpenMP"; - mesg += "\nUSER-INTEL package precision:"; - if (has_accelerator_feature("USER-INTEL","precision","single")) mesg += " single"; - if (has_accelerator_feature("USER-INTEL","precision","mixed")) mesg += " mixed"; - if (has_accelerator_feature("USER-INTEL","precision","double")) mesg += " double"; - mesg += "\n"; - fputs(mesg.c_str(),out); - } + fmt::print(out,"\nAccelerator configuration:\n\n{}", + get_accelerator_info()); } if (flags & MEMORY) { @@ -1429,6 +1380,57 @@ std::string Info::get_cxx_info() #endif } +std::string Info::get_accelerator_info(const std::string &package) +{ + std::string mesg(""); + if ((package.empty() || (package == "GPU")) && has_package("GPU")) { + mesg += "GPU package API:"; + if (has_accelerator_feature("GPU","api","cuda")) mesg += " CUDA"; + if (has_accelerator_feature("GPU","api","hip")) mesg += " HIP"; + if (has_accelerator_feature("GPU","api","opencl")) mesg += " OpenCL"; + mesg += "\nGPU package precision:"; + if (has_accelerator_feature("GPU","precision","single")) mesg += " single"; + if (has_accelerator_feature("GPU","precision","mixed")) mesg += " mixed"; + if (has_accelerator_feature("GPU","precision","double")) mesg += " double"; + mesg += "\n"; + } + if ((package.empty() || (package == "KOKKOS")) && has_package("KOKKOS")) { + mesg += "KOKKOS package API:"; + if (has_accelerator_feature("KOKKOS","api","cuda")) mesg += " CUDA"; + if (has_accelerator_feature("KOKKOS","api","hip")) mesg += " HIP"; + if (has_accelerator_feature("KOKKOS","api","sycl")) mesg += " SYCL"; + if (has_accelerator_feature("KOKKOS","api","openmp")) mesg += " OpenMP"; + if (has_accelerator_feature("KOKKOS","api","serial")) mesg += " Serial"; + if (has_accelerator_feature("KOKKOS","api","pthreads")) mesg += " Pthreads"; + mesg += "\nKOKKOS package precision:"; + if (has_accelerator_feature("KOKKOS","precision","single")) mesg += " single"; + if (has_accelerator_feature("KOKKOS","precision","mixed")) mesg += " mixed"; + if (has_accelerator_feature("KOKKOS","precision","double")) mesg += " double"; + mesg += "\n"; + } + if ((package.empty() || (package == "USER-OMP")) && has_package("USER-OMP")) { + mesg += "USER-OMP package API:"; + if (has_accelerator_feature("USER-OMP","api","openmp")) mesg += " OpenMP"; + if (has_accelerator_feature("USER-OMP","api","serial")) mesg += " Serial"; + mesg += "\nUSER-OMP package precision:"; + if (has_accelerator_feature("USER-OMP","precision","single")) mesg += " single"; + if (has_accelerator_feature("USER-OMP","precision","mixed")) mesg += " mixed"; + if (has_accelerator_feature("USER-OMP","precision","double")) mesg += " double"; + mesg += "\n"; + } + if ((package.empty() || (package == "USER-INTEL")) && has_package("USER-INTEL")) { + mesg += "USER-INTEL package API:"; + if (has_accelerator_feature("USER-INTEL","api","phi")) mesg += " Phi"; + if (has_accelerator_feature("USER-INTEL","api","openmp")) mesg += " OpenMP"; + mesg += "\nUSER-INTEL package precision:"; + if (has_accelerator_feature("USER-INTEL","precision","single")) mesg += " single"; + if (has_accelerator_feature("USER-INTEL","precision","mixed")) mesg += " mixed"; + if (has_accelerator_feature("USER-INTEL","precision","double")) mesg += " double"; + mesg += "\n"; + } + return mesg; +} + /* ---------------------------------------------------------------------- */ void Info::get_memory_info(double *meminfo) diff --git a/src/info.h b/src/info.h index 386d38c39f..cc07327e9c 100644 --- a/src/info.h +++ b/src/info.h @@ -54,6 +54,7 @@ class Info : public Command { static std::string get_mpi_vendor(); static std::string get_mpi_info(int &, int &); static std::string get_cxx_info(); + static std::string get_accelerator_info(const std::string &pkg=""); void get_memory_info(double *); char **get_variable_names(int &num); diff --git a/src/lammps.cpp b/src/lammps.cpp index 277ec4414f..d6c63c1af8 100644 --- a/src/lammps.cpp +++ b/src/lammps.cpp @@ -1326,6 +1326,9 @@ void LAMMPS::print_config(FILE *fp) std::string infobuf = Info::get_mpi_info(major,minor); fmt::print(fp,"MPI v{}.{}: {}\n\n",major,minor,infobuf); + fmt::print(fp,"Accelerator configuration:\n\n{}\n", + Info::get_accelerator_info()); + fputs("Active compile time flags:\n\n",fp); if (Info::has_gzip_support()) fputs("-DLAMMPS_GZIP\n",fp); if (Info::has_png_support()) fputs("-DLAMMPS_PNG\n",fp); From a2e46c47e334af6974dff53ff32116ce005b87cd Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 16:20:34 -0400 Subject: [PATCH 13/48] download only a specific tag/version of MathJax when cloning --- doc/Makefile | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/Makefile b/doc/Makefile index 7deaaf2a2e..a90b13e133 100644 --- a/doc/Makefile +++ b/doc/Makefile @@ -236,7 +236,7 @@ $(VENV): ) $(MATHJAX): - @git clone --depth 1 git://github.com/mathjax/MathJax.git $@ + @git clone -b 3.1.3 -c advice.detachedHead=0 --depth 1 git://github.com/mathjax/MathJax.git $@ $(TXT2RST) $(ANCHORCHECK): $(VENV) @( \ From 53a0ded240f89f0fc5d9da3e9047af214d116398 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 16:26:49 -0400 Subject: [PATCH 14/48] update MathJax version for CMake based doc build --- cmake/Modules/Documentation.cmake | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/cmake/Modules/Documentation.cmake b/cmake/Modules/Documentation.cmake index c0028676b7..b8f4c541e9 100644 --- a/cmake/Modules/Documentation.cmake +++ b/cmake/Modules/Documentation.cmake @@ -55,8 +55,8 @@ if(BUILD_DOC) COMMAND ${DOCENV_BINARY_DIR}/pip $ENV{PIP_OPTIONS} install -r ${DOC_BUILD_DIR}/requirements.txt --upgrade ) - set(MATHJAX_URL "https://github.com/mathjax/MathJax/archive/3.1.2.tar.gz" CACHE STRING "URL for MathJax tarball") - set(MATHJAX_MD5 "a4a6a093a89bc2ccab1452d766b98e53" CACHE STRING "MD5 checksum of MathJax tarball") + set(MATHJAX_URL "https://github.com/mathjax/MathJax/archive/3.1.3.tar.gz" CACHE STRING "URL for MathJax tarball") + set(MATHJAX_MD5 "b81661c6e6ba06278e6ae37b30b0c492" CACHE STRING "MD5 checksum of MathJax tarball") mark_as_advanced(MATHJAX_URL) # download mathjax distribution and unpack to folder "mathjax" From 4ccb4c96038d9da6f05f0feac913d84fc2bc979c Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Thu, 22 Apr 2021 18:41:35 -0400 Subject: [PATCH 15/48] CMake: Add missing defines to GPU kernel compilation --- cmake/Modules/Packages/GPU.cmake | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/cmake/Modules/Packages/GPU.cmake b/cmake/Modules/Packages/GPU.cmake index b706537825..fa1a493330 100644 --- a/cmake/Modules/Packages/GPU.cmake +++ b/cmake/Modules/Packages/GPU.cmake @@ -112,10 +112,10 @@ if(GPU_API STREQUAL "CUDA") endif() cuda_compile_fatbin(GPU_GEN_OBJS ${GPU_LIB_CU} OPTIONS ${CUDA_REQUEST_PIC} - -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING}) + -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DNV_KERNEL -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING} -DLAMMPS_${LAMMPS_SIZES}) cuda_compile(GPU_OBJS ${GPU_LIB_CUDPP_CU} OPTIONS ${CUDA_REQUEST_PIC} - -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING}) + -DUNIX -O3 --use_fast_math -Wno-deprecated-gpu-targets -DUCL_CUDADR ${GPU_CUDA_GENCODE} -D_${GPU_PREC_SETTING} -DLAMMPS_${LAMMPS_SIZES}) foreach(CU_OBJ ${GPU_GEN_OBJS}) get_filename_component(CU_NAME ${CU_OBJ} NAME_WE) @@ -289,18 +289,18 @@ elseif(GPU_API STREQUAL "HIP") if(HIP_COMPILER STREQUAL "clang") add_custom_command(OUTPUT ${CUBIN_FILE} - VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --genco --offload-arch=${HIP_ARCH} -O3 -ffast-math -DUSE_HIP -D_${GPU_PREC_SETTING} -I${LAMMPS_LIB_SOURCE_DIR}/gpu -o ${CUBIN_FILE} ${CU_CPP_FILE} + VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --genco --offload-arch=${HIP_ARCH} -O3 -ffast-math -DUSE_HIP -D_${GPU_PREC_SETTING} -DLAMMPS_${LAMMPS_SIZES} -I${LAMMPS_LIB_SOURCE_DIR}/gpu -o ${CUBIN_FILE} ${CU_CPP_FILE} DEPENDS ${CU_CPP_FILE} COMMENT "Generating ${CU_NAME}.cubin") else() add_custom_command(OUTPUT ${CUBIN_FILE} - VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --genco -t="${HIP_ARCH}" -f=\"-O3 -ffast-math -DUSE_HIP -D_${GPU_PREC_SETTING} -I${LAMMPS_LIB_SOURCE_DIR}/gpu\" -o ${CUBIN_FILE} ${CU_CPP_FILE} + VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --genco -t="${HIP_ARCH}" -f=\"-O3 -ffast-math -DUSE_HIP -D_${GPU_PREC_SETTING} -DLAMMPS_${LAMMPS_SIZES} -I${LAMMPS_LIB_SOURCE_DIR}/gpu\" -o ${CUBIN_FILE} ${CU_CPP_FILE} DEPENDS ${CU_CPP_FILE} COMMENT "Generating ${CU_NAME}.cubin") endif() elseif(HIP_PLATFORM STREQUAL "nvcc") add_custom_command(OUTPUT ${CUBIN_FILE} - VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --fatbin --use_fast_math -DUSE_HIP -D_${GPU_PREC_SETTING} ${HIP_CUDA_GENCODE} -I${LAMMPS_LIB_SOURCE_DIR}/gpu -o ${CUBIN_FILE} ${CU_FILE} + VERBATIM COMMAND ${HIP_HIPCC_EXECUTABLE} --fatbin --use_fast_math -DUSE_HIP -D_${GPU_PREC_SETTING} -DLAMMPS_${LAMMPS_SIZES} ${HIP_CUDA_GENCODE} -I${LAMMPS_LIB_SOURCE_DIR}/gpu -o ${CUBIN_FILE} ${CU_FILE} DEPENDS ${CU_FILE} COMMENT "Generating ${CU_NAME}.cubin") endif() From df7fe4431fe4ae4e9eeea4a6e86531c3bf18c879 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 21:26:07 -0400 Subject: [PATCH 16/48] make LAMMPS homepage URL and C++ indicator comments consistent --- src/ASPHERE/compute_erotate_asphere.h | 2 +- src/ASPHERE/compute_temp_asphere.h | 2 +- src/ASPHERE/fix_nh_asphere.h | 2 +- src/ASPHERE/fix_nph_asphere.h | 2 +- src/ASPHERE/fix_npt_asphere.h | 2 +- src/ASPHERE/fix_nve_asphere.h | 2 +- src/ASPHERE/fix_nve_asphere_noforce.h | 2 +- src/ASPHERE/fix_nve_line.h | 2 +- src/ASPHERE/fix_nve_tri.h | 2 +- src/ASPHERE/fix_nvt_asphere.h | 2 +- src/ASPHERE/pair_gayberne.h | 2 +- src/ASPHERE/pair_line_lj.h | 2 +- src/ASPHERE/pair_resquared.h | 2 +- src/ASPHERE/pair_tri_lj.h | 2 +- src/BODY/body_nparticle.h | 2 +- src/BODY/body_rounded_polygon.h | 2 +- src/BODY/body_rounded_polyhedron.h | 2 +- src/BODY/compute_body_local.h | 2 +- src/BODY/compute_temp_body.h | 2 +- src/BODY/fix_nh_body.h | 2 +- src/BODY/fix_nph_body.h | 2 +- src/BODY/fix_npt_body.h | 2 +- src/BODY/fix_nve_body.h | 2 +- src/BODY/fix_nvt_body.h | 2 +- src/BODY/fix_wall_body_polygon.h | 2 +- src/BODY/fix_wall_body_polyhedron.h | 2 +- src/BODY/pair_body_nparticle.h | 2 +- src/BODY/pair_body_rounded_polygon.h | 2 +- src/BODY/pair_body_rounded_polyhedron.h | 2 +- src/CLASS2/angle_class2.h | 2 +- src/CLASS2/bond_class2.h | 2 +- src/CLASS2/dihedral_class2.h | 2 +- src/CLASS2/improper_class2.h | 2 +- src/CLASS2/pair_lj_class2.h | 2 +- src/CLASS2/pair_lj_class2_coul_cut.h | 2 +- src/CLASS2/pair_lj_class2_coul_long.h | 2 +- src/COLLOID/fix_wall_colloid.h | 2 +- src/COLLOID/pair_brownian.h | 2 +- src/COLLOID/pair_brownian_poly.h | 2 +- src/COLLOID/pair_colloid.h | 2 +- src/COLLOID/pair_lubricate.h | 2 +- src/COLLOID/pair_lubricateU.h | 2 +- src/COLLOID/pair_lubricateU_poly.h | 2 +- src/COLLOID/pair_lubricate_poly.h | 2 +- src/COLLOID/pair_yukawa_colloid.h | 2 +- src/COMPRESS/dump_atom_gz.h | 2 +- src/COMPRESS/dump_atom_zstd.h | 2 +- src/COMPRESS/dump_cfg_gz.h | 2 +- src/COMPRESS/dump_cfg_zstd.h | 2 +- src/COMPRESS/dump_custom_gz.h | 2 +- src/COMPRESS/dump_custom_zstd.h | 2 +- src/COMPRESS/dump_local_gz.h | 2 +- src/COMPRESS/dump_local_zstd.h | 2 +- src/COMPRESS/dump_xyz_gz.h | 2 +- src/COMPRESS/dump_xyz_zstd.h | 2 +- src/COMPRESS/gz_file_writer.h | 2 +- src/COMPRESS/zstd_file_writer.h | 2 +- src/CORESHELL/compute_temp_cs.h | 2 +- src/CORESHELL/pair_born_coul_dsf_cs.h | 2 +- src/CORESHELL/pair_born_coul_long_cs.h | 2 +- src/CORESHELL/pair_born_coul_wolf_cs.h | 4 ++-- src/CORESHELL/pair_buck_coul_long_cs.h | 2 +- src/CORESHELL/pair_coul_long_cs.h | 2 +- src/CORESHELL/pair_coul_wolf_cs.h | 2 +- src/CORESHELL/pair_lj_class2_coul_long_cs.h | 2 +- src/CORESHELL/pair_lj_cut_coul_long_cs.h | 2 +- src/DIPOLE/atom_vec_dipole.h | 2 +- src/DIPOLE/pair_lj_cut_dipole_cut.h | 2 +- src/DIPOLE/pair_lj_long_dipole_long.h | 2 +- src/GPU/fix_gpu.h | 2 +- src/GPU/fix_nh_gpu.h | 2 +- src/GPU/fix_npt_gpu.h | 2 +- src/GPU/fix_nve_asphere_gpu.h | 2 +- src/GPU/fix_nve_gpu.h | 2 +- src/GPU/fix_nvt_gpu.h | 2 +- src/GPU/gpu_extra.h | 2 +- src/GPU/pair_beck_gpu.h | 2 +- src/GPU/pair_born_coul_long_cs_gpu.h | 2 +- src/GPU/pair_born_coul_long_gpu.h | 2 +- src/GPU/pair_born_coul_wolf_cs_gpu.h | 2 +- src/GPU/pair_born_coul_wolf_gpu.h | 2 +- src/GPU/pair_born_gpu.h | 2 +- src/GPU/pair_buck_coul_cut_gpu.h | 2 +- src/GPU/pair_buck_coul_long_gpu.h | 2 +- src/GPU/pair_buck_gpu.h | 2 +- src/GPU/pair_colloid_gpu.h | 2 +- src/GPU/pair_coul_cut_gpu.h | 2 +- src/GPU/pair_coul_debye_gpu.h | 2 +- src/GPU/pair_coul_dsf_gpu.h | 2 +- src/GPU/pair_coul_long_cs_gpu.h | 2 +- src/GPU/pair_coul_long_gpu.h | 2 +- src/GPU/pair_dpd_gpu.h | 2 +- src/GPU/pair_dpd_tstat_gpu.h | 2 +- src/GPU/pair_eam_alloy_gpu.h | 2 +- src/GPU/pair_eam_fs_gpu.h | 2 +- src/GPU/pair_eam_gpu.h | 2 +- src/GPU/pair_gauss_gpu.h | 2 +- src/GPU/pair_gayberne_gpu.h | 2 +- src/GPU/pair_lj96_cut_gpu.h | 2 +- src/GPU/pair_lj_charmm_coul_charmm_gpu.h | 2 +- src/GPU/pair_lj_charmm_coul_long_gpu.h | 2 +- src/GPU/pair_lj_class2_coul_long_gpu.h | 2 +- src/GPU/pair_lj_class2_gpu.h | 2 +- src/GPU/pair_lj_cubic_gpu.h | 2 +- src/GPU/pair_lj_cut_coul_cut_gpu.h | 2 +- src/GPU/pair_lj_cut_coul_debye_gpu.h | 2 +- src/GPU/pair_lj_cut_coul_dsf_gpu.h | 2 +- src/GPU/pair_lj_cut_coul_long_gpu.h | 2 +- src/GPU/pair_lj_cut_coul_msm_gpu.h | 2 +- src/GPU/pair_lj_cut_dipole_cut_gpu.h | 2 +- src/GPU/pair_lj_cut_dipole_long_gpu.h | 2 +- src/GPU/pair_lj_cut_gpu.h | 2 +- src/GPU/pair_lj_cut_tip4p_long_gpu.h | 4 ++-- src/GPU/pair_lj_expand_coul_long_gpu.h | 2 +- src/GPU/pair_lj_expand_gpu.h | 2 +- src/GPU/pair_lj_gromacs_gpu.h | 2 +- src/GPU/pair_lj_sdk_coul_long_gpu.h | 2 +- src/GPU/pair_lj_sdk_gpu.h | 2 +- src/GPU/pair_lj_sf_dipole_sf_gpu.h | 2 +- src/GPU/pair_mie_cut_gpu.h | 2 +- src/GPU/pair_morse_gpu.h | 2 +- src/GPU/pair_resquared_gpu.h | 2 +- src/GPU/pair_soft_gpu.h | 2 +- src/GPU/pair_sw_gpu.h | 2 +- src/GPU/pair_table_gpu.h | 2 +- src/GPU/pair_tersoff_gpu.h | 2 +- src/GPU/pair_tersoff_mod_gpu.h | 2 +- src/GPU/pair_tersoff_zbl_gpu.h | 2 +- src/GPU/pair_ufm_gpu.h | 2 +- src/GPU/pair_vashishta_gpu.h | 2 +- src/GPU/pair_yukawa_colloid_gpu.h | 2 +- src/GPU/pair_yukawa_gpu.h | 2 +- src/GPU/pair_zbl_gpu.h | 2 +- src/GPU/pppm_gpu.h | 2 +- src/GRANULAR/fix_freeze.h | 2 +- src/GRANULAR/fix_pour.h | 2 +- src/GRANULAR/fix_wall_gran.h | 2 +- src/GRANULAR/fix_wall_gran_region.h | 2 +- src/GRANULAR/pair_gran_hertz_history.h | 2 +- src/GRANULAR/pair_gran_hooke.h | 2 +- src/GRANULAR/pair_gran_hooke_history.h | 2 +- src/GRANULAR/pair_granular.h | 4 ++-- src/KIM/fix_store_kim.h | 2 +- src/KIM/kim_command.h | 2 +- src/KIM/kim_init.h | 2 +- src/KIM/kim_interactions.h | 2 +- src/KIM/kim_param.h | 2 +- src/KIM/kim_property.h | 2 +- src/KIM/kim_query.h | 2 +- src/KIM/kim_units.h | 2 +- src/KIM/pair_kim.h | 2 +- src/KOKKOS/angle_charmm_kokkos.h | 2 +- src/KOKKOS/angle_class2_kokkos.h | 2 +- src/KOKKOS/angle_cosine_kokkos.h | 2 +- src/KOKKOS/angle_harmonic_kokkos.h | 2 +- src/KOKKOS/atom_kokkos.h | 2 +- src/KOKKOS/atom_vec_angle_kokkos.h | 2 +- src/KOKKOS/atom_vec_atomic_kokkos.h | 2 +- src/KOKKOS/atom_vec_bond_kokkos.h | 2 +- src/KOKKOS/atom_vec_charge_kokkos.h | 2 +- src/KOKKOS/atom_vec_dpd_kokkos.h | 2 +- src/KOKKOS/atom_vec_full_kokkos.h | 2 +- src/KOKKOS/atom_vec_hybrid_kokkos.h | 2 +- src/KOKKOS/atom_vec_kokkos.h | 2 +- src/KOKKOS/atom_vec_molecular_kokkos.h | 2 +- src/KOKKOS/atom_vec_sphere_kokkos.h | 2 +- src/KOKKOS/atom_vec_spin_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_spin_kokkos.h | 2 +- src/KOKKOS/bond_class2_kokkos.h | 2 +- src/KOKKOS/bond_fene_kokkos.h | 2 +- src/KOKKOS/bond_harmonic_kokkos.h | 2 +- src/KOKKOS/comm_kokkos.h | 2 +- src/KOKKOS/comm_tiled_kokkos.h | 2 +- src/KOKKOS/compute_coord_atom_kokkos.h | 2 +- src/KOKKOS/compute_orientorder_atom_kokkos.h | 2 +- src/KOKKOS/compute_temp_kokkos.h | 2 +- src/KOKKOS/dihedral_charmm_kokkos.h | 2 +- src/KOKKOS/dihedral_class2_kokkos.h | 2 +- src/KOKKOS/dihedral_harmonic_kokkos.h | 2 +- src/KOKKOS/dihedral_opls_kokkos.h | 2 +- src/KOKKOS/domain_kokkos.h | 2 +- src/KOKKOS/fft3d_kokkos.h | 4 ++-- src/KOKKOS/fftdata_kokkos.h | 4 ++-- src/KOKKOS/fix_deform_kokkos.h | 2 +- src/KOKKOS/fix_dpd_energy_kokkos.h | 4 ++-- src/KOKKOS/fix_enforce2d_kokkos.h | 2 +- src/KOKKOS/fix_eos_table_rx_kokkos.h | 2 +- src/KOKKOS/fix_freeze_kokkos.h | 2 +- src/KOKKOS/fix_gravity_kokkos.h | 2 +- src/KOKKOS/fix_langevin_kokkos.h | 2 +- src/KOKKOS/fix_minimize_kokkos.h | 2 +- src/KOKKOS/fix_momentum_kokkos.h | 2 +- src/KOKKOS/fix_neigh_history_kokkos.h | 2 +- src/KOKKOS/fix_nh_kokkos.h | 2 +- src/KOKKOS/fix_nph_kokkos.h | 2 +- src/KOKKOS/fix_npt_kokkos.h | 2 +- src/KOKKOS/fix_nve_kokkos.h | 2 +- src/KOKKOS/fix_nve_sphere_kokkos.h | 2 +- src/KOKKOS/fix_nvt_kokkos.h | 2 +- src/KOKKOS/fix_property_atom_kokkos.h | 2 +- src/KOKKOS/fix_qeq_reax_kokkos.h | 2 +- src/KOKKOS/fix_reaxc_bonds_kokkos.h | 2 +- src/KOKKOS/fix_reaxc_species_kokkos.h | 2 +- src/KOKKOS/fix_rx_kokkos.h | 4 ++-- src/KOKKOS/fix_setforce_kokkos.h | 2 +- src/KOKKOS/fix_shake_kokkos.cpp | 2 +- src/KOKKOS/fix_shake_kokkos.h | 2 +- src/KOKKOS/fix_shardlow_kokkos.h | 2 +- src/KOKKOS/fix_wall_lj93_kokkos.h | 2 +- src/KOKKOS/fix_wall_reflect_kokkos.h | 2 +- src/KOKKOS/gridcomm_kokkos.h | 2 +- src/KOKKOS/improper_class2_kokkos.h | 2 +- src/KOKKOS/improper_harmonic_kokkos.h | 2 +- src/KOKKOS/kissfft_kokkos.h | 4 ++-- src/KOKKOS/kokkos.h | 2 +- src/KOKKOS/kokkos_base.h | 4 ++-- src/KOKKOS/kokkos_base_fft.h | 4 ++-- src/KOKKOS/kokkos_type.h | 2 +- src/KOKKOS/math_special_kokkos.h | 2 +- src/KOKKOS/memory_kokkos.h | 2 +- src/KOKKOS/min_cg_kokkos.h | 2 +- src/KOKKOS/min_kokkos.h | 2 +- src/KOKKOS/min_linesearch_kokkos.h | 2 +- src/KOKKOS/modify_kokkos.h | 2 +- src/KOKKOS/nbin_kokkos.h | 2 +- src/KOKKOS/nbin_ssa_kokkos.h | 2 +- src/KOKKOS/neigh_bond_kokkos.h | 2 +- src/KOKKOS/neigh_list_kokkos.h | 2 +- src/KOKKOS/neighbor_kokkos.h | 2 +- src/KOKKOS/npair_copy_kokkos.h | 2 +- src/KOKKOS/npair_halffull_kokkos.h | 2 +- src/KOKKOS/npair_kokkos.h | 2 +- src/KOKKOS/npair_skip_kokkos.h | 2 +- src/KOKKOS/npair_ssa_kokkos.h | 2 +- src/KOKKOS/pack_kokkos.h | 2 +- src/KOKKOS/pair_buck_coul_cut_kokkos.h | 2 +- src/KOKKOS/pair_buck_coul_long_kokkos.h | 2 +- src/KOKKOS/pair_buck_kokkos.h | 2 +- src/KOKKOS/pair_coul_cut_kokkos.h | 2 +- src/KOKKOS/pair_coul_debye_kokkos.h | 2 +- src/KOKKOS/pair_coul_dsf_kokkos.h | 2 +- src/KOKKOS/pair_coul_long_kokkos.h | 2 +- src/KOKKOS/pair_coul_wolf_kokkos.h | 2 +- src/KOKKOS/pair_dpd_fdt_energy_kokkos.h | 2 +- src/KOKKOS/pair_eam_alloy_kokkos.h | 2 +- src/KOKKOS/pair_eam_fs_kokkos.h | 2 +- src/KOKKOS/pair_eam_kokkos.h | 2 +- src/KOKKOS/pair_exp6_rx_kokkos.h | 4 ++-- src/KOKKOS/pair_gran_hooke_history_kokkos.h | 2 +- src/KOKKOS/pair_hybrid_kokkos.h | 2 +- src/KOKKOS/pair_hybrid_overlay_kokkos.h | 2 +- src/KOKKOS/pair_kokkos.h | 2 +- src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h | 2 +- src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h | 2 +- src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h | 2 +- src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h | 2 +- src/KOKKOS/pair_lj_class2_coul_long_kokkos.h | 2 +- src/KOKKOS/pair_lj_class2_kokkos.h | 2 +- src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h | 2 +- src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h | 2 +- src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h | 2 +- src/KOKKOS/pair_lj_cut_coul_long_kokkos.h | 2 +- src/KOKKOS/pair_lj_cut_kokkos.h | 2 +- src/KOKKOS/pair_lj_expand_kokkos.h | 2 +- src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h | 2 +- src/KOKKOS/pair_lj_gromacs_kokkos.h | 2 +- src/KOKKOS/pair_lj_sdk_kokkos.h | 2 +- src/KOKKOS/pair_morse_kokkos.h | 2 +- src/KOKKOS/pair_multi_lucy_rx_kokkos.h | 4 ++-- src/KOKKOS/pair_reaxc_kokkos.h | 2 +- src/KOKKOS/pair_snap_kokkos.h | 2 +- src/KOKKOS/pair_snap_kokkos_impl.h | 4 ++-- src/KOKKOS/pair_sw_kokkos.h | 2 +- src/KOKKOS/pair_table_kokkos.h | 2 +- src/KOKKOS/pair_table_rx_kokkos.h | 2 +- src/KOKKOS/pair_tersoff_kokkos.h | 2 +- src/KOKKOS/pair_tersoff_mod_kokkos.h | 2 +- src/KOKKOS/pair_tersoff_zbl_kokkos.h | 2 +- src/KOKKOS/pair_vashishta_kokkos.h | 2 +- src/KOKKOS/pair_yukawa_kokkos.h | 2 +- src/KOKKOS/pair_zbl_kokkos.h | 2 +- src/KOKKOS/pppm_kokkos.h | 2 +- src/KOKKOS/rand_pool_wrap_kokkos.h | 4 ++-- src/KOKKOS/region_block_kokkos.h | 2 +- src/KOKKOS/remap_kokkos.h | 2 +- src/KOKKOS/sna_kokkos.h | 2 +- src/KOKKOS/sna_kokkos_impl.h | 4 ++-- src/KOKKOS/verlet_kokkos.h | 2 +- src/KSPACE/ewald.h | 2 +- src/KSPACE/ewald_dipole.h | 2 +- src/KSPACE/ewald_dipole_spin.h | 2 +- src/KSPACE/ewald_disp.h | 2 +- src/KSPACE/fft3d.h | 2 +- src/KSPACE/fft3d_wrap.h | 2 +- src/KSPACE/fix_tune_kspace.h | 2 +- src/KSPACE/gridcomm.h | 2 +- src/KSPACE/kissfft.h | 2 +- src/KSPACE/msm.h | 2 +- src/KSPACE/msm_cg.h | 2 +- src/KSPACE/pair_born_coul_long.h | 2 +- src/KSPACE/pair_born_coul_msm.h | 2 +- src/KSPACE/pair_buck_coul_long.h | 2 +- src/KSPACE/pair_buck_coul_msm.h | 2 +- src/KSPACE/pair_buck_long_coul_long.h | 2 +- src/KSPACE/pair_coul_long.h | 2 +- src/KSPACE/pair_coul_msm.h | 2 +- src/KSPACE/pair_lj_charmm_coul_long.h | 2 +- src/KSPACE/pair_lj_charmm_coul_msm.h | 2 +- src/KSPACE/pair_lj_charmmfsw_coul_long.h | 2 +- src/KSPACE/pair_lj_cut_coul_long.h | 2 +- src/KSPACE/pair_lj_cut_coul_msm.h | 2 +- src/KSPACE/pair_lj_cut_tip4p_long.h | 2 +- src/KSPACE/pair_lj_long_coul_long.h | 2 +- src/KSPACE/pair_lj_long_tip4p_long.h | 2 +- src/KSPACE/pair_tip4p_long.h | 2 +- src/KSPACE/pppm.h | 2 +- src/KSPACE/pppm_cg.h | 2 +- src/KSPACE/pppm_dipole.h | 2 +- src/KSPACE/pppm_dipole_spin.h | 2 +- src/KSPACE/pppm_disp.h | 2 +- src/KSPACE/pppm_disp_tip4p.h | 2 +- src/KSPACE/pppm_stagger.h | 2 +- src/KSPACE/pppm_tip4p.h | 2 +- src/KSPACE/remap.h | 2 +- src/KSPACE/remap_wrap.h | 2 +- src/LATTE/fix_latte.h | 2 +- src/MANYBODY/fix_qeq_comb.h | 2 +- src/MANYBODY/pair_adp.h | 2 +- src/MANYBODY/pair_airebo.h | 2 +- src/MANYBODY/pair_airebo_morse.h | 2 +- src/MANYBODY/pair_atm.h | 2 +- src/MANYBODY/pair_bop.h | 2 +- src/MANYBODY/pair_comb.h | 2 +- src/MANYBODY/pair_comb3.h | 2 +- src/MANYBODY/pair_eam.h | 2 +- src/MANYBODY/pair_eam_alloy.h | 2 +- src/MANYBODY/pair_eam_cd.h | 2 +- src/MANYBODY/pair_eam_fs.h | 2 +- src/MANYBODY/pair_eam_he.h | 2 +- src/MANYBODY/pair_eim.h | 2 +- src/MANYBODY/pair_gw.h | 2 +- src/MANYBODY/pair_gw_zbl.h | 2 +- src/MANYBODY/pair_lcbop.h | 2 +- src/MANYBODY/pair_nb3b_harmonic.h | 4 ++-- src/MANYBODY/pair_polymorphic.h | 2 +- src/MANYBODY/pair_rebo.h | 2 +- src/MANYBODY/pair_sw.h | 2 +- src/MANYBODY/pair_tersoff.h | 2 +- src/MANYBODY/pair_tersoff_mod.h | 2 +- src/MANYBODY/pair_tersoff_mod_c.h | 2 +- src/MANYBODY/pair_tersoff_zbl.h | 2 +- src/MANYBODY/pair_vashishta.h | 2 +- src/MANYBODY/pair_vashishta_table.h | 2 +- src/MC/fix_atom_swap.h | 2 +- src/MC/fix_bond_break.h | 2 +- src/MC/fix_bond_create.h | 2 +- src/MC/fix_bond_create_angle.h | 2 +- src/MC/fix_bond_swap.h | 2 +- src/MC/fix_charge_regulation.cpp | 2 +- src/MC/fix_charge_regulation.h | 2 +- src/MC/fix_gcmc.h | 2 +- src/MC/fix_tfmc.h | 2 +- src/MC/fix_widom.h | 2 +- src/MC/pair_dsmc.h | 2 +- src/MESSAGE/fix_client_md.h | 2 +- src/MESSAGE/message.h | 2 +- src/MESSAGE/server.h | 2 +- src/MESSAGE/server_mc.h | 2 +- src/MESSAGE/server_md.h | 2 +- src/MISC/compute_msd_nongauss.h | 2 +- src/MISC/compute_ti.h | 2 +- src/MISC/dump_xtc.h | 2 +- src/MISC/fix_deposit.h | 2 +- src/MISC/fix_efield.h | 2 +- src/MISC/fix_evaporate.h | 2 +- src/MISC/fix_gld.h | 2 +- src/MISC/fix_oneway.h | 2 +- src/MISC/fix_orient_bcc.h | 2 +- src/MISC/fix_orient_fcc.h | 2 +- src/MISC/fix_thermal_conductivity.h | 2 +- src/MISC/fix_ttm.h | 2 +- src/MISC/fix_viscosity.h | 2 +- src/MISC/pair_nm_cut.h | 2 +- src/MISC/pair_nm_cut_coul_cut.h | 2 +- src/MISC/pair_nm_cut_coul_long.h | 2 +- src/MLIAP/compute_mliap.h | 2 +- src/MLIAP/mliap_data.h | 2 +- src/MLIAP/mliap_descriptor.h | 2 +- src/MLIAP/mliap_descriptor_snap.h | 2 +- src/MLIAP/mliap_model.h | 2 +- src/MLIAP/mliap_model_linear.h | 2 +- src/MLIAP/mliap_model_nn.h | 2 +- src/MLIAP/mliap_model_python.cpp | 2 +- src/MLIAP/mliap_model_python.h | 2 +- src/MLIAP/mliap_model_quadratic.h | 2 +- src/MLIAP/pair_mliap.h | 2 +- src/MOLECULE/angle_charmm.h | 2 +- src/MOLECULE/angle_cosine.h | 2 +- src/MOLECULE/angle_cosine_delta.h | 2 +- src/MOLECULE/angle_cosine_periodic.h | 2 +- src/MOLECULE/angle_cosine_squared.h | 2 +- src/MOLECULE/angle_harmonic.h | 2 +- src/MOLECULE/angle_table.h | 2 +- src/MOLECULE/atom_vec_angle.h | 2 +- src/MOLECULE/atom_vec_bond.h | 2 +- src/MOLECULE/atom_vec_full.h | 2 +- src/MOLECULE/atom_vec_molecular.h | 2 +- src/MOLECULE/atom_vec_template.h | 2 +- src/MOLECULE/bond_fene.h | 2 +- src/MOLECULE/bond_fene_expand.h | 2 +- src/MOLECULE/bond_gromos.h | 2 +- src/MOLECULE/bond_harmonic.h | 2 +- src/MOLECULE/bond_morse.h | 2 +- src/MOLECULE/bond_nonlinear.h | 2 +- src/MOLECULE/bond_quartic.h | 2 +- src/MOLECULE/bond_table.h | 2 +- src/MOLECULE/dihedral_charmm.h | 2 +- src/MOLECULE/dihedral_charmmfsw.h | 2 +- src/MOLECULE/dihedral_harmonic.h | 2 +- src/MOLECULE/dihedral_helix.h | 2 +- src/MOLECULE/dihedral_multi_harmonic.h | 2 +- src/MOLECULE/dihedral_opls.h | 2 +- src/MOLECULE/fix_cmap.h | 2 +- src/MOLECULE/improper_cvff.h | 2 +- src/MOLECULE/improper_harmonic.h | 2 +- src/MOLECULE/improper_umbrella.h | 2 +- src/MOLECULE/pair_hbond_dreiding_lj.h | 2 +- src/MOLECULE/pair_hbond_dreiding_morse.h | 2 +- src/MOLECULE/pair_lj_charmm_coul_charmm.h | 2 +- src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h | 2 +- src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h | 2 +- src/MOLECULE/pair_lj_cut_tip4p_cut.h | 2 +- src/MOLECULE/pair_tip4p_cut.h | 2 +- src/MPIIO/dump_atom_mpiio.h | 2 +- src/MPIIO/dump_cfg_mpiio.h | 2 +- src/MPIIO/dump_custom_mpiio.h | 2 +- src/MPIIO/dump_xyz_mpiio.h | 2 +- src/MPIIO/restart_mpiio.h | 2 +- src/MSCG/fix_mscg.h | 2 +- src/OPT/pair_eam_alloy_opt.h | 2 +- src/OPT/pair_eam_fs_opt.h | 2 +- src/OPT/pair_eam_opt.h | 2 +- src/OPT/pair_lj_charmm_coul_long_opt.h | 2 +- src/OPT/pair_lj_cut_coul_long_opt.h | 2 +- src/OPT/pair_lj_cut_opt.h | 2 +- src/OPT/pair_lj_cut_tip4p_long_opt.h | 2 +- src/OPT/pair_lj_long_coul_long_opt.h | 2 +- src/OPT/pair_morse_opt.h | 2 +- src/OPT/pair_ufm_opt.h | 2 +- src/PERI/atom_vec_peri.h | 2 +- src/PERI/compute_damage_atom.h | 2 +- src/PERI/compute_dilatation_atom.h | 2 +- src/PERI/compute_plasticity_atom.h | 2 +- src/PERI/fix_peri_neigh.h | 2 +- src/PERI/pair_peri_eps.h | 2 +- src/PERI/pair_peri_lps.h | 2 +- src/PERI/pair_peri_pmb.h | 2 +- src/PERI/pair_peri_ves.h | 2 +- src/PLUGIN/plugin.h | 2 +- src/POEMS/fix_poems.h | 2 +- src/PYTHON/fix_python_invoke.h | 2 +- src/PYTHON/fix_python_move.h | 2 +- src/PYTHON/pair_python.h | 2 +- src/PYTHON/python_compat.h | 2 +- src/PYTHON/python_impl.h | 2 +- src/PYTHON/python_utils.h | 2 +- src/QEQ/fix_qeq.h | 2 +- src/QEQ/fix_qeq_dynamic.h | 2 +- src/QEQ/fix_qeq_fire.h | 2 +- src/QEQ/fix_qeq_point.h | 2 +- src/QEQ/fix_qeq_shielded.h | 2 +- src/QEQ/fix_qeq_slater.h | 2 +- src/REPLICA/compute_event_displace.h | 2 +- src/REPLICA/fix_event.h | 2 +- src/REPLICA/fix_event_hyper.h | 2 +- src/REPLICA/fix_event_prd.h | 2 +- src/REPLICA/fix_event_tad.h | 2 +- src/REPLICA/fix_hyper.h | 2 +- src/REPLICA/fix_hyper_global.h | 2 +- src/REPLICA/fix_hyper_local.h | 2 +- src/REPLICA/fix_neb.h | 2 +- src/REPLICA/hyper.h | 2 +- src/REPLICA/neb.h | 2 +- src/REPLICA/prd.h | 2 +- src/REPLICA/tad.h | 2 +- src/REPLICA/temper.h | 2 +- src/REPLICA/verlet_split.h | 2 +- src/RIGID/compute_erotate_rigid.h | 2 +- src/RIGID/compute_ke_rigid.h | 2 +- src/RIGID/compute_rigid_local.h | 2 +- src/RIGID/fix_ehex.h | 2 +- src/RIGID/fix_rattle.h | 2 +- src/RIGID/fix_rigid.h | 2 +- src/RIGID/fix_rigid_nh.h | 2 +- src/RIGID/fix_rigid_nh_small.h | 2 +- src/RIGID/fix_rigid_nph.h | 2 +- src/RIGID/fix_rigid_nph_small.h | 2 +- src/RIGID/fix_rigid_npt.h | 2 +- src/RIGID/fix_rigid_npt_small.h | 2 +- src/RIGID/fix_rigid_nve.h | 2 +- src/RIGID/fix_rigid_nve_small.h | 2 +- src/RIGID/fix_rigid_nvt.h | 2 +- src/RIGID/fix_rigid_nvt_small.h | 2 +- src/RIGID/fix_rigid_small.h | 2 +- src/RIGID/fix_shake.h | 2 +- src/RIGID/rigid_const.h | 2 +- src/SHOCK/fix_append_atoms.h | 2 +- src/SHOCK/fix_msst.h | 2 +- src/SHOCK/fix_nphug.h | 2 +- src/SHOCK/fix_wall_piston.h | 2 +- src/SNAP/compute_sna_atom.h | 2 +- src/SNAP/compute_snad_atom.h | 2 +- src/SNAP/compute_snap.h | 2 +- src/SNAP/compute_snav_atom.h | 2 +- src/SNAP/pair_snap.h | 2 +- src/SNAP/sna.h | 2 +- src/SPIN/atom_vec_spin.h | 2 +- src/SPIN/compute_spin.h | 2 +- src/SPIN/fix_langevin_spin.h | 2 +- src/SPIN/fix_neb_spin.h | 2 +- src/SPIN/fix_nve_spin.h | 2 +- src/SPIN/fix_precession_spin.h | 2 +- src/SPIN/fix_setforce_spin.h | 2 +- src/SPIN/min_spin.h | 2 +- src/SPIN/min_spin_cg.h | 2 +- src/SPIN/min_spin_lbfgs.h | 2 +- src/SPIN/neb_spin.h | 2 +- src/SPIN/pair_spin.h | 2 +- src/SPIN/pair_spin_dmi.h | 2 +- src/SPIN/pair_spin_exchange.h | 2 +- src/SPIN/pair_spin_exchange_biquadratic.cpp | 2 +- src/SPIN/pair_spin_exchange_biquadratic.h | 2 +- src/SPIN/pair_spin_magelec.h | 2 +- src/SPIN/pair_spin_neel.h | 2 +- src/SRD/fix_srd.h | 2 +- src/SRD/fix_wall_srd.h | 2 +- src/STUBS/mpi.h | 2 +- src/USER-ADIOS/dump_atom_adios.h | 2 +- src/USER-ADIOS/dump_custom_adios.h | 2 +- src/USER-ADIOS/reader_adios.h | 2 +- src/USER-AWPMD/atom_vec_wavepacket.h | 2 +- src/USER-AWPMD/fix_nve_awpmd.h | 2 +- src/USER-AWPMD/pair_awpmd_cut.h | 2 +- src/USER-BOCS/compute_pressure_bocs.h | 2 +- src/USER-BOCS/fix_bocs.h | 2 +- src/USER-CGDNA/bond_oxdna2_fene.h | 2 +- src/USER-CGDNA/bond_oxdna_fene.h | 2 +- src/USER-CGDNA/bond_oxrna2_fene.h | 2 +- src/USER-CGDNA/fix_nve_dot.h | 2 +- src/USER-CGDNA/fix_nve_dotc_langevin.h | 2 +- src/USER-CGDNA/mf_oxdna.h | 2 +- src/USER-CGDNA/pair_oxdna2_coaxstk.h | 2 +- src/USER-CGDNA/pair_oxdna2_dh.h | 2 +- src/USER-CGDNA/pair_oxdna2_excv.h | 2 +- src/USER-CGDNA/pair_oxdna_coaxstk.h | 2 +- src/USER-CGDNA/pair_oxdna_excv.h | 2 +- src/USER-CGDNA/pair_oxdna_hbond.h | 2 +- src/USER-CGDNA/pair_oxdna_stk.h | 2 +- src/USER-CGDNA/pair_oxdna_xstk.h | 2 +- src/USER-CGDNA/pair_oxrna2_dh.h | 2 +- src/USER-CGDNA/pair_oxrna2_excv.h | 2 +- src/USER-CGDNA/pair_oxrna2_hbond.h | 2 +- src/USER-CGDNA/pair_oxrna2_stk.h | 2 +- src/USER-CGDNA/pair_oxrna2_xstk.h | 2 +- src/USER-CGSDK/angle_sdk.h | 2 +- src/USER-CGSDK/lj_sdk_common.h | 2 +- src/USER-CGSDK/pair_lj_sdk.h | 2 +- src/USER-CGSDK/pair_lj_sdk_coul_long.h | 2 +- src/USER-CGSDK/pair_lj_sdk_coul_msm.h | 2 +- src/USER-COLVARS/fix_colvars.h | 2 +- src/USER-COLVARS/group_ndx.h | 2 +- src/USER-COLVARS/ndx_group.h | 2 +- src/USER-DIFFRACTION/compute_saed.h | 2 +- src/USER-DIFFRACTION/compute_saed_consts.h | 2 +- src/USER-DIFFRACTION/compute_xrd.h | 2 +- src/USER-DIFFRACTION/compute_xrd_consts.h | 2 +- src/USER-DIFFRACTION/fix_saed_vtk.h | 2 +- src/USER-DPD/atom_vec_dpd.h | 2 +- src/USER-DPD/compute_dpd.h | 2 +- src/USER-DPD/compute_dpd_atom.h | 2 +- src/USER-DPD/fix_dpd_energy.h | 2 +- src/USER-DPD/fix_eos_cv.h | 2 +- src/USER-DPD/fix_eos_table.h | 2 +- src/USER-DPD/fix_eos_table_rx.h | 2 +- src/USER-DPD/fix_rx.h | 2 +- src/USER-DPD/fix_shardlow.h | 2 +- src/USER-DPD/nbin_ssa.h | 2 +- src/USER-DPD/npair_half_bin_newton_ssa.h | 2 +- src/USER-DPD/nstencil_half_bin_2d_newton_ssa.h | 2 +- src/USER-DPD/nstencil_half_bin_3d_newton_ssa.h | 2 +- src/USER-DPD/nstencil_ssa.h | 2 +- src/USER-DPD/pair_dpd_fdt.h | 2 +- src/USER-DPD/pair_dpd_fdt_energy.h | 2 +- src/USER-DPD/pair_exp6_rx.h | 2 +- src/USER-DPD/pair_multi_lucy.h | 2 +- src/USER-DPD/pair_multi_lucy_rx.h | 2 +- src/USER-DPD/pair_table_rx.h | 2 +- src/USER-DPD/random_external_state.h | 2 +- src/USER-DRUDE/compute_temp_drude.h | 2 +- src/USER-DRUDE/fix_drude.h | 2 +- src/USER-DRUDE/fix_drude_transform.h | 2 +- src/USER-DRUDE/fix_langevin_drude.h | 2 +- src/USER-DRUDE/fix_tgnh_drude.h | 2 +- src/USER-DRUDE/fix_tgnpt_drude.h | 2 +- src/USER-DRUDE/fix_tgnvt_drude.h | 2 +- src/USER-DRUDE/pair_coul_tt.h | 2 +- src/USER-DRUDE/pair_lj_cut_thole_long.h | 2 +- src/USER-DRUDE/pair_thole.h | 2 +- src/USER-EFF/atom_vec_electron.h | 2 +- src/USER-EFF/compute_ke_atom_eff.h | 2 +- src/USER-EFF/compute_ke_eff.h | 2 +- src/USER-EFF/compute_temp_deform_eff.h | 2 +- src/USER-EFF/compute_temp_eff.h | 2 +- src/USER-EFF/compute_temp_region_eff.h | 2 +- src/USER-EFF/fix_langevin_eff.h | 2 +- src/USER-EFF/fix_nh_eff.h | 2 +- src/USER-EFF/fix_nph_eff.h | 2 +- src/USER-EFF/fix_npt_eff.h | 2 +- src/USER-EFF/fix_nve_eff.h | 2 +- src/USER-EFF/fix_nvt_eff.h | 2 +- src/USER-EFF/fix_nvt_sllod_eff.h | 2 +- src/USER-EFF/fix_temp_rescale_eff.h | 2 +- src/USER-EFF/pair_eff_cut.h | 2 +- src/USER-EFF/pair_eff_inline.h | 2 +- src/USER-FEP/compute_fep.h | 2 +- src/USER-FEP/fix_adapt_fep.h | 2 +- src/USER-FEP/pair_coul_cut_soft.h | 2 +- src/USER-FEP/pair_coul_long_soft.h | 2 +- src/USER-FEP/pair_lj_charmm_coul_long_soft.h | 2 +- src/USER-FEP/pair_lj_class2_coul_cut_soft.h | 2 +- src/USER-FEP/pair_lj_class2_coul_long_soft.h | 2 +- src/USER-FEP/pair_lj_class2_soft.h | 2 +- src/USER-FEP/pair_lj_cut_coul_cut_soft.h | 2 +- src/USER-FEP/pair_lj_cut_coul_long_soft.h | 2 +- src/USER-FEP/pair_lj_cut_soft.h | 2 +- src/USER-FEP/pair_lj_cut_tip4p_long_soft.h | 2 +- src/USER-FEP/pair_morse_soft.h | 2 +- src/USER-FEP/pair_tip4p_long_soft.h | 2 +- src/USER-H5MD/dump_h5md.h | 2 +- src/USER-INTEL/angle_charmm_intel.h | 2 +- src/USER-INTEL/angle_harmonic_intel.h | 2 +- src/USER-INTEL/bond_fene_intel.h | 2 +- src/USER-INTEL/bond_harmonic_intel.h | 2 +- src/USER-INTEL/dihedral_charmm_intel.h | 2 +- src/USER-INTEL/dihedral_fourier_intel.h | 2 +- src/USER-INTEL/dihedral_harmonic_intel.h | 2 +- src/USER-INTEL/dihedral_opls_intel.h | 2 +- src/USER-INTEL/fix_intel.h | 2 +- src/USER-INTEL/fix_nh_intel.h | 2 +- src/USER-INTEL/fix_npt_intel.h | 2 +- src/USER-INTEL/fix_nve_asphere_intel.h | 2 +- src/USER-INTEL/fix_nve_intel.h | 2 +- src/USER-INTEL/fix_nvt_intel.h | 2 +- src/USER-INTEL/fix_nvt_sllod_intel.h | 2 +- src/USER-INTEL/improper_cvff_intel.h | 2 +- src/USER-INTEL/improper_harmonic_intel.h | 2 +- src/USER-INTEL/intel_buffers.h | 2 +- src/USER-INTEL/intel_intrinsics.h | 2 +- src/USER-INTEL/intel_preprocess.h | 2 +- src/USER-INTEL/intel_simd.h | 2 +- src/USER-INTEL/math_extra_intel.h | 2 +- src/USER-INTEL/nbin_intel.h | 2 +- src/USER-INTEL/npair_full_bin_ghost_intel.h | 2 +- src/USER-INTEL/npair_full_bin_intel.h | 2 +- src/USER-INTEL/npair_half_bin_newton_intel.h | 2 +- src/USER-INTEL/npair_half_bin_newton_tri_intel.h | 2 +- src/USER-INTEL/npair_halffull_newtoff_intel.h | 2 +- src/USER-INTEL/npair_halffull_newton_intel.h | 2 +- src/USER-INTEL/npair_intel.h | 2 +- src/USER-INTEL/npair_skip_intel.h | 2 +- src/USER-INTEL/pair_airebo_intel.h | 2 +- src/USER-INTEL/pair_airebo_morse_intel.h | 2 +- src/USER-INTEL/pair_buck_coul_cut_intel.h | 2 +- src/USER-INTEL/pair_buck_coul_long_intel.h | 2 +- src/USER-INTEL/pair_buck_intel.h | 2 +- src/USER-INTEL/pair_dpd_intel.h | 2 +- src/USER-INTEL/pair_eam_alloy_intel.h | 2 +- src/USER-INTEL/pair_eam_fs_intel.h | 2 +- src/USER-INTEL/pair_eam_intel.h | 2 +- src/USER-INTEL/pair_gayberne_intel.h | 2 +- src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.h | 2 +- src/USER-INTEL/pair_lj_charmm_coul_long_intel.h | 2 +- src/USER-INTEL/pair_lj_cut_coul_long_intel.h | 2 +- src/USER-INTEL/pair_lj_cut_intel.h | 2 +- src/USER-INTEL/pair_lj_long_coul_long_intel.h | 2 +- src/USER-INTEL/pair_rebo_intel.h | 2 +- src/USER-INTEL/pair_sw_intel.h | 2 +- src/USER-INTEL/pair_tersoff_intel.h | 2 +- src/USER-INTEL/pppm_disp_intel.h | 2 +- src/USER-INTEL/pppm_intel.h | 2 +- src/USER-INTEL/verlet_lrt_intel.h | 2 +- src/USER-LB/fix_lb_momentum.h | 2 +- src/USER-LB/fix_lb_pc.h | 2 +- src/USER-LB/fix_lb_rigid_pc_sphere.h | 2 +- src/USER-LB/fix_lb_viscous.h | 2 +- src/USER-MANIFOLD/fix_manifoldforce.h | 2 +- src/USER-MANIFOLD/fix_nve_manifold_rattle.h | 2 +- src/USER-MANIFOLD/fix_nvt_manifold_rattle.h | 2 +- src/USER-MANIFOLD/manifold.h | 2 +- src/USER-MANIFOLD/manifold_factory.h | 2 +- src/USER-MANIFOLD/manifold_gaussian_bump.h | 4 ++-- src/USER-MEAMC/meam.h | 2 +- src/USER-MEAMC/pair_meamc.h | 2 +- src/USER-MESODPD/atom_vec_edpd.h | 2 +- src/USER-MESODPD/atom_vec_mdpd.h | 2 +- src/USER-MESODPD/atom_vec_tdpd.h | 2 +- src/USER-MESODPD/compute_edpd_temp_atom.h | 2 +- src/USER-MESODPD/compute_tdpd_cc_atom.h | 2 +- src/USER-MESODPD/fix_edpd_source.h | 2 +- src/USER-MESODPD/fix_mvv_dpd.h | 2 +- src/USER-MESODPD/fix_mvv_edpd.h | 2 +- src/USER-MESODPD/fix_mvv_tdpd.h | 2 +- src/USER-MESODPD/fix_tdpd_source.h | 2 +- src/USER-MESODPD/pair_edpd.h | 2 +- src/USER-MESODPD/pair_mdpd.h | 2 +- src/USER-MESODPD/pair_mdpd_rhosum.h | 2 +- src/USER-MESODPD/pair_tdpd.h | 2 +- src/USER-MESONT/atom_vec_mesont.h | 2 +- src/USER-MESONT/compute_mesont.h | 2 +- src/USER-MESONT/export_mesont.h | 2 +- src/USER-MESONT/pair_mesont_tpm.h | 2 +- src/USER-MGPT/mgpt_bgmul_7.c.h | 4 ++-- src/USER-MGPT/mgpt_linalg.h | 4 ++-- src/USER-MGPT/mgpt_mmul3_538.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul3_748.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul3d_526.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul3d_744.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul_bg_552.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul_bg_722.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul_bgq_n5_lda8_2x8.c.h | 4 ++-- src/USER-MGPT/mgpt_mmul_bgq_n7_lda8_4x8.c.h | 4 ++-- src/USER-MGPT/mgpt_readpot.h | 4 ++-- src/USER-MGPT/mgpt_splinetab.h | 4 ++-- src/USER-MGPT/mgpt_ttr_5022.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_5042.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_5123.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_5141.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_7022.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_7042.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_7123.c.h | 4 ++-- src/USER-MGPT/mgpt_ttr_7141.c.h | 4 ++-- src/USER-MGPT/pair_mgpt.h | 4 ++-- src/USER-MISC/angle_cosine_shift.h | 2 +- src/USER-MISC/angle_cosine_shift_exp.h | 2 +- src/USER-MISC/angle_dipole.h | 2 +- src/USER-MISC/angle_fourier.h | 2 +- src/USER-MISC/angle_fourier_simple.h | 2 +- src/USER-MISC/angle_gaussian.cpp | 2 +- src/USER-MISC/angle_gaussian.h | 2 +- src/USER-MISC/angle_quartic.h | 2 +- src/USER-MISC/bond_gaussian.cpp | 2 +- src/USER-MISC/bond_gaussian.h | 2 +- src/USER-MISC/bond_harmonic_shift.h | 2 +- src/USER-MISC/bond_harmonic_shift_cut.h | 2 +- src/USER-MISC/bond_special.h | 2 +- src/USER-MISC/compute_ackland_atom.h | 2 +- src/USER-MISC/compute_basal_atom.h | 2 +- src/USER-MISC/compute_cnp_atom.h | 2 +- src/USER-MISC/compute_entropy_atom.h | 2 +- src/USER-MISC/compute_gyration_shape.h | 2 +- src/USER-MISC/compute_gyration_shape_chunk.h | 2 +- src/USER-MISC/compute_hma.h | 2 +- src/USER-MISC/compute_pressure_cylinder.h | 2 +- src/USER-MISC/compute_pressure_grem.h | 2 +- src/USER-MISC/compute_stress_mop.h | 4 ++-- src/USER-MISC/compute_stress_mop_profile.h | 4 ++-- src/USER-MISC/compute_temp_rotate.h | 2 +- src/USER-MISC/compute_viscosity_cos.h | 2 +- src/USER-MISC/dihedral_cosine_shift_exp.h | 2 +- src/USER-MISC/dihedral_fourier.h | 2 +- src/USER-MISC/dihedral_nharmonic.h | 2 +- src/USER-MISC/dihedral_quadratic.h | 2 +- src/USER-MISC/dihedral_spherical.h | 2 +- src/USER-MISC/dihedral_table.h | 2 +- src/USER-MISC/dihedral_table_cut.h | 2 +- src/USER-MISC/fix_accelerate_cos.h | 2 +- src/USER-MISC/fix_addtorque.h | 2 +- src/USER-MISC/fix_ave_correlate_long.h | 2 +- src/USER-MISC/fix_electron_stopping.h | 2 +- src/USER-MISC/fix_electron_stopping_fit.cpp | 2 +- src/USER-MISC/fix_electron_stopping_fit.h | 4 ++-- src/USER-MISC/fix_ffl.h | 2 +- src/USER-MISC/fix_filter_corotate.h | 2 +- src/USER-MISC/fix_flow_gauss.h | 2 +- src/USER-MISC/fix_gle.h | 2 +- src/USER-MISC/fix_grem.h | 2 +- src/USER-MISC/fix_imd.h | 2 +- src/USER-MISC/fix_ipi.h | 2 +- src/USER-MISC/fix_momentum_chunk.h | 2 +- src/USER-MISC/fix_npt_cauchy.h | 2 +- src/USER-MISC/fix_nvk.h | 2 +- src/USER-MISC/fix_orient_eco.h | 4 ++-- src/USER-MISC/fix_pafi.h | 2 +- src/USER-MISC/fix_pimd.h | 2 +- src/USER-MISC/fix_propel_self.h | 2 +- src/USER-MISC/fix_rhok.h | 2 +- src/USER-MISC/fix_smd.h | 2 +- src/USER-MISC/fix_srp.h | 2 +- src/USER-MISC/fix_ti_spring.h | 2 +- src/USER-MISC/fix_ttm_mod.h | 2 +- src/USER-MISC/fix_wall_ees.h | 2 +- src/USER-MISC/fix_wall_reflect_stochastic.h | 2 +- src/USER-MISC/fix_wall_region_ees.h | 2 +- src/USER-MISC/improper_cossq.h | 2 +- src/USER-MISC/improper_distance.h | 2 +- src/USER-MISC/improper_fourier.h | 2 +- src/USER-MISC/improper_ring.h | 2 +- src/USER-MISC/pair_agni.h | 2 +- src/USER-MISC/pair_buck_mdf.h | 2 +- src/USER-MISC/pair_cosine_squared.h | 2 +- src/USER-MISC/pair_coul_diel.h | 2 +- src/USER-MISC/pair_coul_shield.h | 2 +- src/USER-MISC/pair_coul_slater_cut.h | 2 +- src/USER-MISC/pair_coul_slater_long.h | 2 +- src/USER-MISC/pair_drip.h | 4 ++-- src/USER-MISC/pair_e3b.h | 2 +- src/USER-MISC/pair_edip.h | 2 +- src/USER-MISC/pair_edip_multi.h | 2 +- src/USER-MISC/pair_extep.h | 2 +- src/USER-MISC/pair_gauss_cut.h | 2 +- src/USER-MISC/pair_ilp_graphene_hbn.h | 4 ++-- src/USER-MISC/pair_kolmogorov_crespi_full.h | 4 ++-- src/USER-MISC/pair_kolmogorov_crespi_z.h | 2 +- src/USER-MISC/pair_lebedeva_z.h | 2 +- src/USER-MISC/pair_lennard_mdf.h | 2 +- src/USER-MISC/pair_list.h | 2 +- src/USER-MISC/pair_lj_expand_coul_long.h | 2 +- src/USER-MISC/pair_lj_mdf.h | 2 +- src/USER-MISC/pair_lj_sf_dipole_sf.h | 2 +- src/USER-MISC/pair_local_density.h | 2 +- src/USER-MISC/pair_meam_spline.h | 2 +- src/USER-MISC/pair_meam_sw_spline.h | 2 +- src/USER-MISC/pair_momb.h | 2 +- src/USER-MISC/pair_morse_smooth_linear.h | 2 +- src/USER-MISC/pair_srp.h | 2 +- src/USER-MISC/pair_tersoff_table.h | 2 +- src/USER-MISC/pair_wf_cut.cpp | 2 +- src/USER-MISC/pair_wf_cut.h | 2 +- src/USER-MISC/temper_grem.h | 2 +- src/USER-MISC/temper_npt.h | 2 +- src/USER-MOFFF/angle_class2_p6.h | 2 +- src/USER-MOFFF/angle_cosine_buck6d.h | 2 +- src/USER-MOFFF/improper_inversion_harmonic.h | 2 +- src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.h | 2 +- src/USER-MOFFF/pair_buck6d_coul_gauss_long.h | 2 +- src/USER-MOLFILE/dump_molfile.h | 2 +- src/USER-MOLFILE/molfile_interface.h | 2 +- src/USER-MOLFILE/reader_molfile.h | 2 +- src/USER-NETCDF/dump_netcdf.h | 2 +- src/USER-NETCDF/dump_netcdf_mpiio.h | 2 +- src/USER-OMP/angle_charmm_omp.h | 2 +- src/USER-OMP/angle_class2_omp.h | 2 +- src/USER-OMP/angle_cosine_delta_omp.h | 2 +- src/USER-OMP/angle_cosine_omp.h | 2 +- src/USER-OMP/angle_cosine_periodic_omp.h | 2 +- src/USER-OMP/angle_cosine_shift_exp_omp.h | 2 +- src/USER-OMP/angle_cosine_shift_omp.h | 2 +- src/USER-OMP/angle_cosine_squared_omp.h | 2 +- src/USER-OMP/angle_dipole_omp.h | 2 +- src/USER-OMP/angle_fourier_omp.h | 2 +- src/USER-OMP/angle_fourier_simple_omp.h | 2 +- src/USER-OMP/angle_harmonic_omp.h | 2 +- src/USER-OMP/angle_quartic_omp.h | 2 +- src/USER-OMP/angle_sdk_omp.h | 2 +- src/USER-OMP/angle_table_omp.h | 2 +- src/USER-OMP/bond_class2_omp.h | 2 +- src/USER-OMP/bond_fene_expand_omp.h | 2 +- src/USER-OMP/bond_fene_omp.h | 2 +- src/USER-OMP/bond_gromos_omp.h | 2 +- src/USER-OMP/bond_harmonic_omp.h | 2 +- src/USER-OMP/bond_harmonic_shift_cut_omp.h | 2 +- src/USER-OMP/bond_harmonic_shift_omp.h | 2 +- src/USER-OMP/bond_morse_omp.h | 2 +- src/USER-OMP/bond_nonlinear_omp.h | 2 +- src/USER-OMP/bond_quartic_omp.h | 2 +- src/USER-OMP/bond_table_omp.h | 2 +- src/USER-OMP/dihedral_charmm_omp.h | 2 +- src/USER-OMP/dihedral_class2_omp.h | 2 +- src/USER-OMP/dihedral_cosine_shift_exp_omp.h | 2 +- src/USER-OMP/dihedral_fourier_omp.h | 2 +- src/USER-OMP/dihedral_harmonic_omp.h | 2 +- src/USER-OMP/dihedral_helix_omp.h | 2 +- src/USER-OMP/dihedral_multi_harmonic_omp.h | 2 +- src/USER-OMP/dihedral_nharmonic_omp.h | 2 +- src/USER-OMP/dihedral_opls_omp.h | 2 +- src/USER-OMP/dihedral_quadratic_omp.h | 2 +- src/USER-OMP/dihedral_table_omp.h | 2 +- src/USER-OMP/ewald_omp.h | 2 +- src/USER-OMP/fix_gravity_omp.h | 2 +- src/USER-OMP/fix_neigh_history_omp.h | 2 +- src/USER-OMP/fix_nh_asphere_omp.h | 2 +- src/USER-OMP/fix_nh_omp.h | 2 +- src/USER-OMP/fix_nh_sphere_omp.h | 2 +- src/USER-OMP/fix_nph_asphere_omp.h | 2 +- src/USER-OMP/fix_nph_omp.h | 2 +- src/USER-OMP/fix_nph_sphere_omp.h | 2 +- src/USER-OMP/fix_npt_asphere_omp.h | 2 +- src/USER-OMP/fix_npt_omp.h | 2 +- src/USER-OMP/fix_npt_sphere_omp.h | 2 +- src/USER-OMP/fix_nve_omp.h | 2 +- src/USER-OMP/fix_nve_sphere_omp.h | 2 +- src/USER-OMP/fix_nvt_asphere_omp.h | 2 +- src/USER-OMP/fix_nvt_omp.h | 2 +- src/USER-OMP/fix_nvt_sphere_omp.h | 2 +- src/USER-OMP/fix_omp.h | 2 +- src/USER-OMP/fix_peri_neigh_omp.h | 2 +- src/USER-OMP/fix_qeq_comb_omp.h | 2 +- src/USER-OMP/fix_qeq_reax_omp.h | 2 +- src/USER-OMP/fix_rigid_nh_omp.h | 2 +- src/USER-OMP/fix_rigid_nph_omp.h | 2 +- src/USER-OMP/fix_rigid_npt_omp.h | 2 +- src/USER-OMP/fix_rigid_nve_omp.h | 2 +- src/USER-OMP/fix_rigid_nvt_omp.h | 2 +- src/USER-OMP/fix_rigid_omp.h | 2 +- src/USER-OMP/fix_rigid_small_omp.h | 2 +- src/USER-OMP/improper_class2_omp.h | 2 +- src/USER-OMP/improper_cossq_omp.h | 2 +- src/USER-OMP/improper_cvff_omp.h | 2 +- src/USER-OMP/improper_fourier_omp.h | 2 +- src/USER-OMP/improper_harmonic_omp.h | 2 +- src/USER-OMP/improper_ring_omp.h | 2 +- src/USER-OMP/improper_umbrella_omp.h | 2 +- src/USER-OMP/msm_cg_omp.h | 2 +- src/USER-OMP/msm_omp.h | 2 +- src/USER-OMP/npair_full_bin_atomonly_omp.h | 2 +- src/USER-OMP/npair_full_bin_ghost_omp.h | 2 +- src/USER-OMP/npair_full_bin_omp.h | 2 +- src/USER-OMP/npair_full_multi_omp.h | 2 +- src/USER-OMP/npair_full_nsq_ghost_omp.h | 2 +- src/USER-OMP/npair_full_nsq_omp.h | 2 +- src/USER-OMP/npair_half_bin_atomonly_newton_omp.h | 2 +- src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h | 2 +- src/USER-OMP/npair_half_bin_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_bin_newton_omp.h | 2 +- src/USER-OMP/npair_half_bin_newton_tri_omp.h | 2 +- src/USER-OMP/npair_half_multi_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_multi_newton_omp.h | 2 +- src/USER-OMP/npair_half_multi_newton_tri_omp.h | 2 +- src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h | 2 +- src/USER-OMP/npair_half_nsq_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_nsq_newton_omp.h | 2 +- src/USER-OMP/npair_half_respa_bin_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_respa_bin_newton_omp.h | 2 +- src/USER-OMP/npair_half_respa_bin_newton_tri_omp.h | 2 +- src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_respa_nsq_newton_omp.h | 2 +- src/USER-OMP/npair_half_size_bin_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_size_bin_newton_omp.h | 2 +- src/USER-OMP/npair_half_size_bin_newton_tri_omp.h | 2 +- src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp | 2 +- src/USER-OMP/npair_half_size_multi_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_size_multi_newton_omp.cpp | 2 +- src/USER-OMP/npair_half_size_multi_newton_omp.h | 2 +- src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp | 2 +- src/USER-OMP/npair_half_size_multi_newton_tri_omp.h | 2 +- src/USER-OMP/npair_half_size_nsq_newtoff_omp.h | 2 +- src/USER-OMP/npair_half_size_nsq_newton_omp.h | 2 +- src/USER-OMP/npair_halffull_newtoff_omp.h | 2 +- src/USER-OMP/npair_halffull_newton_omp.h | 2 +- src/USER-OMP/npair_omp.h | 2 +- src/USER-OMP/npair_skip_omp.h | 2 +- src/USER-OMP/pair_adp_omp.h | 2 +- src/USER-OMP/pair_agni_omp.h | 2 +- src/USER-OMP/pair_airebo_morse_omp.h | 2 +- src/USER-OMP/pair_airebo_omp.h | 2 +- src/USER-OMP/pair_beck_omp.h | 2 +- src/USER-OMP/pair_born_coul_long_omp.h | 2 +- src/USER-OMP/pair_born_coul_msm_omp.h | 2 +- src/USER-OMP/pair_born_coul_wolf_omp.h | 2 +- src/USER-OMP/pair_born_omp.h | 2 +- src/USER-OMP/pair_brownian_omp.h | 2 +- src/USER-OMP/pair_brownian_poly_omp.h | 2 +- src/USER-OMP/pair_buck_coul_cut_omp.h | 2 +- src/USER-OMP/pair_buck_coul_long_omp.h | 2 +- src/USER-OMP/pair_buck_coul_msm_omp.h | 2 +- src/USER-OMP/pair_buck_long_coul_long_omp.h | 2 +- src/USER-OMP/pair_buck_omp.h | 2 +- src/USER-OMP/pair_colloid_omp.h | 2 +- src/USER-OMP/pair_comb_omp.h | 2 +- src/USER-OMP/pair_coul_cut_global_omp.h | 2 +- src/USER-OMP/pair_coul_cut_omp.h | 2 +- src/USER-OMP/pair_coul_cut_soft_omp.h | 2 +- src/USER-OMP/pair_coul_debye_omp.h | 2 +- src/USER-OMP/pair_coul_diel_omp.h | 2 +- src/USER-OMP/pair_coul_dsf_omp.h | 2 +- src/USER-OMP/pair_coul_long_omp.h | 2 +- src/USER-OMP/pair_coul_long_soft_omp.h | 2 +- src/USER-OMP/pair_coul_msm_omp.h | 2 +- src/USER-OMP/pair_coul_wolf_omp.h | 2 +- src/USER-OMP/pair_dpd_omp.h | 2 +- src/USER-OMP/pair_dpd_tstat_omp.h | 2 +- src/USER-OMP/pair_eam_alloy_omp.h | 2 +- src/USER-OMP/pair_eam_fs_omp.h | 2 +- src/USER-OMP/pair_eam_omp.h | 2 +- src/USER-OMP/pair_edip_omp.h | 2 +- src/USER-OMP/pair_eim_omp.h | 2 +- src/USER-OMP/pair_gauss_cut_omp.h | 2 +- src/USER-OMP/pair_gauss_omp.h | 2 +- src/USER-OMP/pair_gayberne_omp.h | 2 +- src/USER-OMP/pair_gran_hertz_history_omp.h | 2 +- src/USER-OMP/pair_gran_hooke_history_omp.h | 2 +- src/USER-OMP/pair_gran_hooke_omp.h | 2 +- src/USER-OMP/pair_hbond_dreiding_lj_omp.h | 2 +- src/USER-OMP/pair_hbond_dreiding_morse_omp.h | 2 +- src/USER-OMP/pair_lj96_cut_omp.h | 2 +- src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h | 2 +- src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h | 2 +- src/USER-OMP/pair_lj_charmm_coul_long_omp.h | 2 +- src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.h | 2 +- src/USER-OMP/pair_lj_charmm_coul_msm_omp.h | 2 +- src/USER-OMP/pair_lj_class2_coul_cut_omp.h | 2 +- src/USER-OMP/pair_lj_class2_coul_long_omp.h | 2 +- src/USER-OMP/pair_lj_class2_omp.h | 2 +- src/USER-OMP/pair_lj_cubic_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_cut_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_debye_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_dsf_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_long_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_long_soft_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_msm_omp.h | 2 +- src/USER-OMP/pair_lj_cut_coul_wolf_omp.h | 2 +- src/USER-OMP/pair_lj_cut_dipole_cut_omp.h | 2 +- src/USER-OMP/pair_lj_cut_omp.h | 2 +- src/USER-OMP/pair_lj_cut_soft_omp.h | 2 +- src/USER-OMP/pair_lj_cut_thole_long_omp.h | 2 +- src/USER-OMP/pair_lj_cut_tip4p_cut_omp.h | 2 +- src/USER-OMP/pair_lj_cut_tip4p_long_omp.h | 2 +- src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.h | 2 +- src/USER-OMP/pair_lj_expand_omp.h | 2 +- src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h | 2 +- src/USER-OMP/pair_lj_gromacs_omp.h | 2 +- src/USER-OMP/pair_lj_long_coul_long_omp.h | 2 +- src/USER-OMP/pair_lj_long_tip4p_long_omp.h | 2 +- src/USER-OMP/pair_lj_relres_omp.h | 2 +- src/USER-OMP/pair_lj_sdk_coul_long_omp.h | 2 +- src/USER-OMP/pair_lj_sdk_coul_msm_omp.h | 2 +- src/USER-OMP/pair_lj_sdk_omp.h | 2 +- src/USER-OMP/pair_lj_sf_dipole_sf_omp.h | 2 +- src/USER-OMP/pair_lj_smooth_linear_omp.h | 2 +- src/USER-OMP/pair_lj_smooth_omp.h | 2 +- src/USER-OMP/pair_lubricate_omp.h | 2 +- src/USER-OMP/pair_lubricate_poly_omp.h | 2 +- src/USER-OMP/pair_meam_spline_omp.h | 2 +- src/USER-OMP/pair_morse_omp.h | 2 +- src/USER-OMP/pair_morse_smooth_linear_omp.h | 2 +- src/USER-OMP/pair_nm_cut_coul_cut_omp.h | 2 +- src/USER-OMP/pair_nm_cut_coul_long_omp.h | 2 +- src/USER-OMP/pair_nm_cut_omp.h | 2 +- src/USER-OMP/pair_peri_lps_omp.h | 2 +- src/USER-OMP/pair_peri_pmb_omp.h | 2 +- src/USER-OMP/pair_reaxc_omp.h | 2 +- src/USER-OMP/pair_rebo_omp.h | 2 +- src/USER-OMP/pair_resquared_omp.h | 2 +- src/USER-OMP/pair_soft_omp.h | 2 +- src/USER-OMP/pair_sw_omp.h | 2 +- src/USER-OMP/pair_table_omp.h | 2 +- src/USER-OMP/pair_tersoff_mod_c_omp.h | 2 +- src/USER-OMP/pair_tersoff_mod_omp.h | 2 +- src/USER-OMP/pair_tersoff_omp.h | 2 +- src/USER-OMP/pair_tersoff_table_omp.h | 2 +- src/USER-OMP/pair_tersoff_zbl_omp.h | 2 +- src/USER-OMP/pair_tip4p_cut_omp.h | 2 +- src/USER-OMP/pair_tip4p_long_omp.h | 2 +- src/USER-OMP/pair_tip4p_long_soft_omp.h | 2 +- src/USER-OMP/pair_ufm_omp.h | 2 +- src/USER-OMP/pair_vashishta_omp.h | 2 +- src/USER-OMP/pair_vashishta_table_omp.h | 2 +- src/USER-OMP/pair_yukawa_colloid_omp.h | 2 +- src/USER-OMP/pair_yukawa_omp.h | 2 +- src/USER-OMP/pair_zbl_omp.h | 2 +- src/USER-OMP/pppm_cg_omp.h | 2 +- src/USER-OMP/pppm_disp_omp.h | 2 +- src/USER-OMP/pppm_disp_tip4p_omp.h | 2 +- src/USER-OMP/pppm_omp.h | 2 +- src/USER-OMP/pppm_tip4p_omp.h | 2 +- src/USER-OMP/respa_omp.h | 2 +- src/USER-OMP/thr_data.h | 2 +- src/USER-OMP/thr_omp.h | 2 +- src/USER-PACE/pair_pace.h | 2 +- src/USER-PLUMED/fix_plumed.h | 2 +- src/USER-PTM/compute_ptm_atom.h | 2 +- src/USER-QMMM/fix_qmmm.h | 2 +- src/USER-QTB/fix_qbmsst.h | 2 +- src/USER-QTB/fix_qtb.h | 2 +- src/USER-QUIP/pair_quip.h | 2 +- src/USER-REACTION/fix_bond_react.h | 2 +- src/USER-REACTION/superpose3d.h | 2 +- src/USER-REAXC/compute_spec_atom.h | 2 +- src/USER-REAXC/fix_qeq_reax.h | 2 +- src/USER-REAXC/fix_reaxc.h | 2 +- src/USER-REAXC/fix_reaxc_bonds.h | 2 +- src/USER-REAXC/fix_reaxc_species.h | 2 +- src/USER-REAXC/pair_reaxc.h | 2 +- src/USER-SCAFACOS/scafacos.h | 2 +- src/USER-SDPD/fix_meso_move.h | 2 +- src/USER-SDPD/fix_rigid_meso.h | 2 +- src/USER-SDPD/pair_sdpd_taitwater_isothermal.h | 2 +- src/USER-SMD/atom_vec_smd.h | 2 +- src/USER-SMD/compute_smd_contact_radius.h | 2 +- src/USER-SMD/compute_smd_damage.h | 2 +- src/USER-SMD/compute_smd_hourglass_error.h | 2 +- src/USER-SMD/compute_smd_internal_energy.h | 2 +- src/USER-SMD/compute_smd_plastic_strain.h | 2 +- src/USER-SMD/compute_smd_plastic_strain_rate.h | 2 +- src/USER-SMD/compute_smd_rho.h | 2 +- src/USER-SMD/compute_smd_tlsph_defgrad.h | 2 +- src/USER-SMD/compute_smd_tlsph_dt.h | 2 +- src/USER-SMD/compute_smd_tlsph_num_neighs.h | 2 +- src/USER-SMD/compute_smd_tlsph_shape.h | 2 +- src/USER-SMD/compute_smd_tlsph_strain.h | 2 +- src/USER-SMD/compute_smd_tlsph_strain_rate.h | 2 +- src/USER-SMD/compute_smd_tlsph_stress.h | 2 +- src/USER-SMD/compute_smd_triangle_vertices.h | 2 +- src/USER-SMD/compute_smd_ulsph_effm.h | 2 +- src/USER-SMD/compute_smd_ulsph_num_neighs.h | 2 +- src/USER-SMD/compute_smd_ulsph_strain.h | 2 +- src/USER-SMD/compute_smd_ulsph_strain_rate.h | 2 +- src/USER-SMD/compute_smd_ulsph_stress.h | 2 +- src/USER-SMD/compute_smd_vol.h | 2 +- src/USER-SMD/fix_smd_adjust_dt.h | 2 +- src/USER-SMD/fix_smd_integrate_tlsph.h | 2 +- src/USER-SMD/fix_smd_integrate_ulsph.h | 2 +- src/USER-SMD/fix_smd_move_triangulated_surface.h | 2 +- src/USER-SMD/fix_smd_setvel.h | 2 +- src/USER-SMD/fix_smd_tlsph_reference_configuration.h | 2 +- src/USER-SMD/fix_smd_wall_surface.h | 2 +- src/USER-SMD/pair_smd_hertz.h | 2 +- src/USER-SMD/pair_smd_tlsph.h | 2 +- src/USER-SMD/pair_smd_triangulated_surface.h | 2 +- src/USER-SMD/pair_smd_ulsph.h | 2 +- src/USER-SMD/smd_material_models.h | 2 +- src/USER-SMTBQ/pair_smtbq.h | 2 +- src/USER-SPH/atom_vec_sph.h | 2 +- src/USER-SPH/compute_sph_e_atom.h | 2 +- src/USER-SPH/compute_sph_rho_atom.h | 2 +- src/USER-SPH/compute_sph_t_atom.h | 2 +- src/USER-SPH/fix_sph.h | 2 +- src/USER-SPH/fix_sph_stationary.h | 2 +- src/USER-SPH/pair_sph_heatconduction.h | 2 +- src/USER-SPH/pair_sph_idealgas.h | 2 +- src/USER-SPH/pair_sph_lj.h | 2 +- src/USER-SPH/pair_sph_rhosum.h | 2 +- src/USER-SPH/pair_sph_taitwater.h | 2 +- src/USER-SPH/pair_sph_taitwater_morris.h | 2 +- src/USER-TALLY/compute_force_tally.h | 2 +- src/USER-TALLY/compute_heat_flux_tally.h | 2 +- src/USER-TALLY/compute_pe_mol_tally.h | 2 +- src/USER-TALLY/compute_pe_tally.h | 2 +- src/USER-TALLY/compute_stress_tally.h | 2 +- src/USER-UEF/compute_pressure_uef.h | 2 +- src/USER-UEF/compute_temp_uef.h | 2 +- src/USER-UEF/dump_cfg_uef.h | 2 +- src/USER-UEF/fix_npt_uef.h | 2 +- src/USER-UEF/fix_nvt_uef.h | 2 +- src/USER-UEF/uef_utils.h | 2 +- src/USER-VTK/dump_vtk.h | 2 +- src/USER-YAFF/angle_cross.h | 2 +- src/USER-YAFF/angle_mm3.h | 2 +- src/USER-YAFF/bond_mm3.h | 2 +- src/USER-YAFF/improper_distharm.h | 2 +- src/USER-YAFF/improper_sqdistharm.h | 2 +- src/USER-YAFF/pair_lj_switch3_coulgauss_long.h | 2 +- src/USER-YAFF/pair_mm3_switch3_coulgauss_long.h | 2 +- src/VORONOI/compute_voronoi_atom.h | 2 +- src/accelerator_kokkos.h | 2 +- src/accelerator_omp.h | 2 +- src/angle.h | 2 +- src/angle_deprecated.h | 2 +- src/angle_hybrid.h | 2 +- src/angle_zero.h | 2 +- src/arg_info.h | 2 +- src/atom.h | 2 +- src/atom_map.h | 2 +- src/atom_masks.h | 2 +- src/atom_vec.h | 2 +- src/atom_vec_atomic.h | 2 +- src/atom_vec_body.h | 2 +- src/atom_vec_charge.h | 2 +- src/atom_vec_ellipsoid.h | 2 +- src/atom_vec_hybrid.h | 2 +- src/atom_vec_line.h | 2 +- src/atom_vec_sphere.h | 2 +- src/atom_vec_tri.h | 2 +- src/balance.h | 2 +- src/body.h | 2 +- src/bond.h | 2 +- src/bond_deprecated.h | 2 +- src/bond_hybrid.h | 2 +- src/bond_zero.h | 2 +- src/change_box.h | 2 +- src/citeme.h | 2 +- src/comm.h | 2 +- src/comm_brick.h | 2 +- src/comm_tiled.h | 2 +- src/command.h | 2 +- src/compute.h | 2 +- src/compute_adf.h | 2 +- src/compute_aggregate_atom.h | 2 +- src/compute_angle.h | 2 +- src/compute_angle_local.h | 2 +- src/compute_angmom_chunk.h | 2 +- src/compute_bond.h | 2 +- src/compute_bond_local.h | 2 +- src/compute_centro_atom.h | 2 +- src/compute_centroid_stress_atom.h | 2 +- src/compute_chunk_atom.h | 2 +- src/compute_chunk_spread_atom.h | 2 +- src/compute_cluster_atom.h | 2 +- src/compute_cna_atom.h | 2 +- src/compute_com.h | 2 +- src/compute_com_chunk.h | 2 +- src/compute_contact_atom.h | 2 +- src/compute_coord_atom.h | 2 +- src/compute_deprecated.h | 2 +- src/compute_dihedral.h | 2 +- src/compute_dihedral_local.h | 2 +- src/compute_dipole_chunk.h | 2 +- src/compute_displace_atom.h | 2 +- src/compute_erotate_sphere.h | 2 +- src/compute_erotate_sphere_atom.h | 2 +- src/compute_fragment_atom.h | 2 +- src/compute_global_atom.h | 2 +- src/compute_group_group.h | 2 +- src/compute_gyration.h | 2 +- src/compute_gyration_chunk.h | 2 +- src/compute_heat_flux.h | 2 +- src/compute_hexorder_atom.h | 2 +- src/compute_improper.h | 2 +- src/compute_improper_local.h | 2 +- src/compute_inertia_chunk.h | 2 +- src/compute_ke.h | 2 +- src/compute_ke_atom.h | 2 +- src/compute_msd.h | 2 +- src/compute_msd_chunk.h | 2 +- src/compute_omega_chunk.h | 2 +- src/compute_orientorder_atom.h | 2 +- src/compute_pair.h | 2 +- src/compute_pair_local.h | 2 +- src/compute_pe.h | 2 +- src/compute_pe_atom.h | 2 +- src/compute_pressure.h | 2 +- src/compute_property_atom.h | 2 +- src/compute_property_chunk.h | 2 +- src/compute_property_local.h | 2 +- src/compute_rdf.h | 2 +- src/compute_reduce.h | 2 +- src/compute_reduce_chunk.h | 2 +- src/compute_reduce_region.h | 2 +- src/compute_slice.h | 2 +- src/compute_stress_atom.h | 2 +- src/compute_temp.h | 2 +- src/compute_temp_chunk.h | 2 +- src/compute_temp_com.h | 2 +- src/compute_temp_deform.h | 2 +- src/compute_temp_partial.h | 2 +- src/compute_temp_profile.h | 2 +- src/compute_temp_ramp.h | 2 +- src/compute_temp_region.h | 2 +- src/compute_temp_sphere.h | 2 +- src/compute_torque_chunk.h | 2 +- src/compute_vacf.h | 2 +- src/compute_vcm_chunk.h | 2 +- src/create_atoms.h | 2 +- src/create_bonds.h | 2 +- src/create_box.h | 2 +- src/delete_atoms.h | 2 +- src/delete_bonds.h | 2 +- src/deprecated.h | 2 +- src/dihedral.h | 2 +- src/dihedral_deprecated.h | 2 +- src/dihedral_hybrid.h | 2 +- src/dihedral_zero.h | 2 +- src/displace_atoms.h | 2 +- src/domain.h | 2 +- src/dump.h | 2 +- src/dump_atom.h | 2 +- src/dump_cfg.h | 2 +- src/dump_custom.h | 2 +- src/dump_dcd.h | 2 +- src/dump_deprecated.h | 2 +- src/dump_image.h | 2 +- src/dump_local.h | 2 +- src/dump_movie.h | 2 +- src/dump_xyz.h | 2 +- src/error.h | 2 +- src/exceptions.h | 2 +- src/file_writer.h | 2 +- src/finish.h | 2 +- src/fix.h | 2 +- src/fix_adapt.h | 2 +- src/fix_addforce.h | 2 +- src/fix_ave_atom.h | 2 +- src/fix_ave_chunk.h | 2 +- src/fix_ave_correlate.h | 2 +- src/fix_ave_histo.h | 2 +- src/fix_ave_histo_weight.h | 2 +- src/fix_ave_time.h | 2 +- src/fix_aveforce.h | 2 +- src/fix_balance.h | 2 +- src/fix_box_relax.h | 2 +- src/fix_controller.h | 2 +- src/fix_deform.h | 2 +- src/fix_deprecated.h | 2 +- src/fix_drag.h | 2 +- src/fix_dt_reset.h | 2 +- src/fix_dummy.h | 2 +- src/fix_enforce2d.h | 2 +- src/fix_external.h | 2 +- src/fix_gravity.h | 2 +- src/fix_group.h | 2 +- src/fix_halt.h | 2 +- src/fix_heat.h | 2 +- src/fix_indent.h | 2 +- src/fix_langevin.h | 2 +- src/fix_lineforce.h | 2 +- src/fix_minimize.h | 2 +- src/fix_momentum.h | 2 +- src/fix_move.h | 2 +- src/fix_neigh_history.h | 2 +- src/fix_nh.h | 2 +- src/fix_nh_sphere.h | 2 +- src/fix_nph.h | 2 +- src/fix_nph_sphere.h | 2 +- src/fix_npt.h | 2 +- src/fix_npt_sphere.h | 2 +- src/fix_numdiff.h | 2 +- src/fix_nve.h | 2 +- src/fix_nve_limit.h | 2 +- src/fix_nve_noforce.h | 2 +- src/fix_nve_sphere.h | 2 +- src/fix_nvt.h | 2 +- src/fix_nvt_sphere.h | 2 +- src/fix_planeforce.h | 2 +- src/fix_press_berendsen.h | 2 +- src/fix_print.h | 2 +- src/fix_property_atom.h | 2 +- src/fix_read_restart.h | 2 +- src/fix_recenter.h | 2 +- src/fix_respa.h | 2 +- src/fix_restrain.h | 2 +- src/fix_setforce.h | 2 +- src/fix_spring.h | 2 +- src/fix_spring_chunk.h | 2 +- src/fix_spring_rg.h | 2 +- src/fix_spring_self.h | 2 +- src/fix_store.h | 2 +- src/fix_store_force.h | 2 +- src/fix_store_state.h | 2 +- src/fix_temp_berendsen.h | 2 +- src/fix_temp_csld.h | 2 +- src/fix_temp_csvr.h | 2 +- src/fix_temp_rescale.h | 2 +- src/fix_tmd.h | 2 +- src/fix_vector.h | 2 +- src/fix_viscous.h | 2 +- src/fix_wall.h | 2 +- src/fix_wall_harmonic.h | 2 +- src/fix_wall_lj1043.h | 2 +- src/fix_wall_lj126.h | 2 +- src/fix_wall_lj93.h | 2 +- src/fix_wall_morse.h | 2 +- src/fix_wall_reflect.h | 2 +- src/fix_wall_region.h | 2 +- src/force.h | 2 +- src/group.h | 2 +- src/image.h | 2 +- src/imbalance.h | 2 +- src/imbalance_group.h | 2 +- src/imbalance_neigh.h | 2 +- src/imbalance_store.h | 2 +- src/imbalance_time.h | 2 +- src/imbalance_var.h | 2 +- src/improper.h | 2 +- src/improper_deprecated.h | 2 +- src/improper_hybrid.h | 2 +- src/improper_zero.h | 2 +- src/info.h | 2 +- src/input.h | 2 +- src/integrate.h | 2 +- src/irregular.h | 2 +- src/kspace.h | 2 +- src/kspace_deprecated.h | 2 +- src/lammps.h | 2 +- src/lammpsplugin.h | 2 +- src/lattice.h | 2 +- src/library.h | 2 +- src/lmppython.h | 2 +- src/lmprestart.h | 4 ++-- src/lmptype.h | 2 +- src/math_const.h | 2 +- src/math_eigen.h | 2 +- src/math_eigen_impl.h | 2 +- src/math_extra.h | 2 +- src/math_special.h | 2 +- src/memory.h | 2 +- src/min.h | 2 +- src/min_cg.h | 2 +- src/min_fire.h | 2 +- src/min_fire_old.h | 2 +- src/min_hftn.h | 2 +- src/min_linesearch.h | 2 +- src/min_quickmin.h | 2 +- src/min_sd.h | 2 +- src/minimize.h | 2 +- src/modify.h | 2 +- src/molecule.h | 2 +- src/mpiio.h | 2 +- src/my_page.h | 2 +- src/my_pool_chunk.h | 2 +- src/nbin.h | 2 +- src/nbin_standard.h | 2 +- src/neigh_list.h | 2 +- src/neigh_request.h | 2 +- src/neighbor.h | 2 +- src/npair.h | 2 +- src/npair_copy.h | 2 +- src/npair_full_bin.h | 2 +- src/npair_full_bin_atomonly.h | 2 +- src/npair_full_bin_ghost.h | 2 +- src/npair_full_multi.h | 2 +- src/npair_full_nsq.h | 2 +- src/npair_full_nsq_ghost.h | 2 +- src/npair_half_bin_atomonly_newton.h | 2 +- src/npair_half_bin_newtoff.h | 2 +- src/npair_half_bin_newtoff_ghost.h | 2 +- src/npair_half_bin_newton.h | 2 +- src/npair_half_bin_newton_tri.h | 2 +- src/npair_half_multi_newtoff.h | 2 +- src/npair_half_multi_newton.h | 2 +- src/npair_half_multi_newton_tri.h | 2 +- src/npair_half_nsq_newtoff.h | 2 +- src/npair_half_nsq_newtoff_ghost.h | 2 +- src/npair_half_nsq_newton.h | 2 +- src/npair_half_respa_bin_newtoff.h | 2 +- src/npair_half_respa_bin_newton.h | 2 +- src/npair_half_respa_bin_newton_tri.h | 2 +- src/npair_half_respa_nsq_newtoff.h | 2 +- src/npair_half_respa_nsq_newton.h | 2 +- src/npair_half_size_bin_newtoff.h | 2 +- src/npair_half_size_bin_newton.h | 2 +- src/npair_half_size_bin_newton_tri.h | 2 +- src/npair_half_size_multi_newtoff.cpp | 2 +- src/npair_half_size_multi_newtoff.h | 2 +- src/npair_half_size_multi_newton.cpp | 2 +- src/npair_half_size_multi_newton.h | 2 +- src/npair_half_size_multi_newton_tri.cpp | 2 +- src/npair_half_size_multi_newton_tri.h | 2 +- src/npair_half_size_nsq_newtoff.h | 2 +- src/npair_half_size_nsq_newton.h | 2 +- src/npair_halffull_newtoff.h | 2 +- src/npair_halffull_newton.h | 2 +- src/npair_skip.h | 2 +- src/npair_skip_respa.h | 2 +- src/npair_skip_size.h | 2 +- src/npair_skip_size_off2on.h | 2 +- src/npair_skip_size_off2on_oneside.h | 2 +- src/nstencil.h | 2 +- src/nstencil_full_bin_2d.h | 2 +- src/nstencil_full_bin_3d.h | 2 +- src/nstencil_full_ghost_bin_2d.h | 2 +- src/nstencil_full_ghost_bin_3d.h | 2 +- src/nstencil_full_multi_2d.h | 2 +- src/nstencil_full_multi_3d.h | 2 +- src/nstencil_half_bin_2d_newtoff.h | 2 +- src/nstencil_half_bin_2d_newton.h | 2 +- src/nstencil_half_bin_2d_newton_tri.h | 2 +- src/nstencil_half_bin_3d_newtoff.h | 2 +- src/nstencil_half_bin_3d_newton.h | 2 +- src/nstencil_half_bin_3d_newton_tri.h | 2 +- src/nstencil_half_ghost_bin_2d_newtoff.h | 2 +- src/nstencil_half_ghost_bin_3d_newtoff.h | 2 +- src/nstencil_half_multi_2d_newtoff.h | 2 +- src/nstencil_half_multi_2d_newton.h | 2 +- src/nstencil_half_multi_2d_newton_tri.h | 2 +- src/nstencil_half_multi_3d_newtoff.h | 2 +- src/nstencil_half_multi_3d_newton.h | 2 +- src/nstencil_half_multi_3d_newton_tri.h | 2 +- src/ntopo.h | 2 +- src/ntopo_angle_all.h | 2 +- src/ntopo_angle_partial.h | 2 +- src/ntopo_angle_template.h | 2 +- src/ntopo_bond_all.h | 2 +- src/ntopo_bond_partial.h | 2 +- src/ntopo_bond_template.h | 2 +- src/ntopo_dihedral_all.h | 2 +- src/ntopo_dihedral_partial.h | 2 +- src/ntopo_dihedral_template.h | 2 +- src/ntopo_improper_all.h | 2 +- src/ntopo_improper_partial.h | 2 +- src/ntopo_improper_template.h | 2 +- src/omp_compat.h | 2 +- src/output.h | 2 +- src/pack.h | 2 +- src/pair.h | 2 +- src/pair_beck.h | 2 +- src/pair_born.h | 2 +- src/pair_born_coul_dsf.h | 2 +- src/pair_born_coul_wolf.h | 2 +- src/pair_buck.h | 2 +- src/pair_buck_coul_cut.h | 2 +- src/pair_coul_cut.h | 2 +- src/pair_coul_cut_global.h | 2 +- src/pair_coul_debye.h | 2 +- src/pair_coul_dsf.h | 2 +- src/pair_coul_streitz.h | 2 +- src/pair_coul_wolf.h | 2 +- src/pair_deprecated.h | 2 +- src/pair_dpd.h | 2 +- src/pair_dpd_tstat.h | 2 +- src/pair_gauss.h | 2 +- src/pair_hybrid.h | 2 +- src/pair_hybrid_overlay.h | 2 +- src/pair_hybrid_scaled.h | 2 +- src/pair_lj96_cut.h | 2 +- src/pair_lj_cubic.h | 2 +- src/pair_lj_cubic_const.h | 2 +- src/pair_lj_cut.h | 2 +- src/pair_lj_cut_coul_cut.h | 2 +- src/pair_lj_cut_coul_debye.h | 2 +- src/pair_lj_cut_coul_dsf.h | 2 +- src/pair_lj_cut_coul_wolf.h | 2 +- src/pair_lj_expand.h | 2 +- src/pair_lj_gromacs.h | 2 +- src/pair_lj_gromacs_coul_gromacs.h | 2 +- src/pair_lj_relres.cpp | 2 +- src/pair_lj_relres.h | 2 +- src/pair_lj_smooth.h | 2 +- src/pair_lj_smooth_linear.h | 2 +- src/pair_mie_cut.h | 2 +- src/pair_morse.h | 2 +- src/pair_soft.h | 2 +- src/pair_table.h | 2 +- src/pair_ufm.h | 2 +- src/pair_yukawa.h | 2 +- src/pair_zbl.h | 2 +- src/pair_zbl_const.h | 2 +- src/pair_zero.h | 2 +- src/pointers.h | 2 +- src/potential_file_reader.h | 2 +- src/procmap.h | 2 +- src/random_mars.h | 2 +- src/random_park.h | 2 +- src/rcb.h | 2 +- src/read_data.h | 2 +- src/read_dump.h | 2 +- src/read_restart.h | 2 +- src/reader.h | 2 +- src/reader_native.h | 2 +- src/reader_xyz.h | 2 +- src/region.h | 2 +- src/region_block.h | 2 +- src/region_cone.h | 2 +- src/region_cylinder.h | 2 +- src/region_deprecated.h | 2 +- src/region_intersect.h | 2 +- src/region_plane.h | 2 +- src/region_prism.h | 2 +- src/region_sphere.h | 2 +- src/region_union.h | 2 +- src/replicate.h | 2 +- src/rerun.h | 2 +- src/reset_atom_ids.h | 2 +- src/reset_mol_ids.h | 2 +- src/respa.h | 2 +- src/run.h | 2 +- src/set.h | 2 +- src/special.h | 2 +- src/suffix.h | 2 +- src/table_file_reader.h | 2 +- src/text_file_reader.h | 2 +- src/thermo.h | 2 +- src/timer.h | 2 +- src/tokenizer.h | 2 +- src/universe.h | 2 +- src/update.h | 2 +- src/utils.h | 2 +- src/variable.h | 2 +- src/velocity.h | 2 +- src/verlet.h | 2 +- src/write_coeff.h | 2 +- src/write_data.h | 2 +- src/write_dump.h | 2 +- src/write_restart.h | 2 +- 1584 files changed, 1630 insertions(+), 1630 deletions(-) diff --git a/src/ASPHERE/compute_erotate_asphere.h b/src/ASPHERE/compute_erotate_asphere.h index 23e30d7c93..93244dd7e6 100644 --- a/src/ASPHERE/compute_erotate_asphere.h +++ b/src/ASPHERE/compute_erotate_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h index 5ecbf8057a..61d3162d6c 100644 --- a/src/ASPHERE/compute_temp_asphere.h +++ b/src/ASPHERE/compute_temp_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nh_asphere.h b/src/ASPHERE/fix_nh_asphere.h index a5d8c3da6d..4c82a1b83c 100644 --- a/src/ASPHERE/fix_nh_asphere.h +++ b/src/ASPHERE/fix_nh_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nph_asphere.h b/src/ASPHERE/fix_nph_asphere.h index b0a5f19026..7e68e31048 100644 --- a/src/ASPHERE/fix_nph_asphere.h +++ b/src/ASPHERE/fix_nph_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_npt_asphere.h b/src/ASPHERE/fix_npt_asphere.h index e8603e1395..5a3867e4eb 100644 --- a/src/ASPHERE/fix_npt_asphere.h +++ b/src/ASPHERE/fix_npt_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nve_asphere.h b/src/ASPHERE/fix_nve_asphere.h index 72442e9a62..f3b3e66429 100644 --- a/src/ASPHERE/fix_nve_asphere.h +++ b/src/ASPHERE/fix_nve_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nve_asphere_noforce.h b/src/ASPHERE/fix_nve_asphere_noforce.h index d15a88ffd6..eb65a928c8 100644 --- a/src/ASPHERE/fix_nve_asphere_noforce.h +++ b/src/ASPHERE/fix_nve_asphere_noforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nve_line.h b/src/ASPHERE/fix_nve_line.h index 2dc1a2961e..aa1711bbe7 100644 --- a/src/ASPHERE/fix_nve_line.h +++ b/src/ASPHERE/fix_nve_line.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nve_tri.h b/src/ASPHERE/fix_nve_tri.h index 57b7ad9918..b7f07755b5 100644 --- a/src/ASPHERE/fix_nve_tri.h +++ b/src/ASPHERE/fix_nve_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/fix_nvt_asphere.h b/src/ASPHERE/fix_nvt_asphere.h index 63a4e487cc..cd03b3ff63 100644 --- a/src/ASPHERE/fix_nvt_asphere.h +++ b/src/ASPHERE/fix_nvt_asphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/pair_gayberne.h b/src/ASPHERE/pair_gayberne.h index 7ab8bf72ba..8e07156ce0 100644 --- a/src/ASPHERE/pair_gayberne.h +++ b/src/ASPHERE/pair_gayberne.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/pair_line_lj.h b/src/ASPHERE/pair_line_lj.h index 8722352e59..05e5a92cb1 100644 --- a/src/ASPHERE/pair_line_lj.h +++ b/src/ASPHERE/pair_line_lj.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/pair_resquared.h b/src/ASPHERE/pair_resquared.h index 9369208849..073c8b840a 100644 --- a/src/ASPHERE/pair_resquared.h +++ b/src/ASPHERE/pair_resquared.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ASPHERE/pair_tri_lj.h b/src/ASPHERE/pair_tri_lj.h index 287484887c..a92e0e1f89 100644 --- a/src/ASPHERE/pair_tri_lj.h +++ b/src/ASPHERE/pair_tri_lj.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/body_nparticle.h b/src/BODY/body_nparticle.h index c598fc8086..0853dfb341 100644 --- a/src/BODY/body_nparticle.h +++ b/src/BODY/body_nparticle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/body_rounded_polygon.h b/src/BODY/body_rounded_polygon.h index f5129418c4..3bd5925069 100644 --- a/src/BODY/body_rounded_polygon.h +++ b/src/BODY/body_rounded_polygon.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/body_rounded_polyhedron.h b/src/BODY/body_rounded_polyhedron.h index 5aead799c3..ef4508180c 100644 --- a/src/BODY/body_rounded_polyhedron.h +++ b/src/BODY/body_rounded_polyhedron.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/compute_body_local.h b/src/BODY/compute_body_local.h index e2ff9a38bd..ddbaf3b797 100644 --- a/src/BODY/compute_body_local.h +++ b/src/BODY/compute_body_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/compute_temp_body.h b/src/BODY/compute_temp_body.h index 33fdb13ec8..1b272eefa7 100644 --- a/src/BODY/compute_temp_body.h +++ b/src/BODY/compute_temp_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_nh_body.h b/src/BODY/fix_nh_body.h index 80fa9d53e0..8a80dd4148 100644 --- a/src/BODY/fix_nh_body.h +++ b/src/BODY/fix_nh_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_nph_body.h b/src/BODY/fix_nph_body.h index a2e80caf38..6dcbb470ad 100644 --- a/src/BODY/fix_nph_body.h +++ b/src/BODY/fix_nph_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_npt_body.h b/src/BODY/fix_npt_body.h index 24f6701dad..cd4eaff073 100644 --- a/src/BODY/fix_npt_body.h +++ b/src/BODY/fix_npt_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_nve_body.h b/src/BODY/fix_nve_body.h index f33b5863fc..efb48df2ea 100644 --- a/src/BODY/fix_nve_body.h +++ b/src/BODY/fix_nve_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_nvt_body.h b/src/BODY/fix_nvt_body.h index 26cc422baa..df27086222 100644 --- a/src/BODY/fix_nvt_body.h +++ b/src/BODY/fix_nvt_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_wall_body_polygon.h b/src/BODY/fix_wall_body_polygon.h index b71dcb0683..e1b900bd7b 100644 --- a/src/BODY/fix_wall_body_polygon.h +++ b/src/BODY/fix_wall_body_polygon.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/fix_wall_body_polyhedron.h b/src/BODY/fix_wall_body_polyhedron.h index 7479f79e23..e3e7c64669 100644 --- a/src/BODY/fix_wall_body_polyhedron.h +++ b/src/BODY/fix_wall_body_polyhedron.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/pair_body_nparticle.h b/src/BODY/pair_body_nparticle.h index 9c7d832b64..d396291df2 100644 --- a/src/BODY/pair_body_nparticle.h +++ b/src/BODY/pair_body_nparticle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/pair_body_rounded_polygon.h b/src/BODY/pair_body_rounded_polygon.h index aabe86270c..98eda90a88 100644 --- a/src/BODY/pair_body_rounded_polygon.h +++ b/src/BODY/pair_body_rounded_polygon.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/BODY/pair_body_rounded_polyhedron.h b/src/BODY/pair_body_rounded_polyhedron.h index 369f394c50..332432e533 100644 --- a/src/BODY/pair_body_rounded_polyhedron.h +++ b/src/BODY/pair_body_rounded_polyhedron.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/angle_class2.h b/src/CLASS2/angle_class2.h index cc155747ac..cfefe507b7 100644 --- a/src/CLASS2/angle_class2.h +++ b/src/CLASS2/angle_class2.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/bond_class2.h b/src/CLASS2/bond_class2.h index f83fecfce0..bf15f34cd4 100644 --- a/src/CLASS2/bond_class2.h +++ b/src/CLASS2/bond_class2.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index 32cd289137..4169b4a0f6 100644 --- a/src/CLASS2/dihedral_class2.h +++ b/src/CLASS2/dihedral_class2.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index cac805046a..4fb94f257f 100644 --- a/src/CLASS2/improper_class2.h +++ b/src/CLASS2/improper_class2.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h index 7680498a07..a0402373c1 100644 --- a/src/CLASS2/pair_lj_class2.h +++ b/src/CLASS2/pair_lj_class2.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains diff --git a/src/CLASS2/pair_lj_class2_coul_cut.h b/src/CLASS2/pair_lj_class2_coul_cut.h index f33502e23a..9fc8b57de7 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.h +++ b/src/CLASS2/pair_lj_class2_coul_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h index 7b68382295..47e8077afe 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.h +++ b/src/CLASS2/pair_lj_class2_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/fix_wall_colloid.h b/src/COLLOID/fix_wall_colloid.h index 59b079f86e..92691a95e9 100644 --- a/src/COLLOID/fix_wall_colloid.h +++ b/src/COLLOID/fix_wall_colloid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_brownian.h b/src/COLLOID/pair_brownian.h index 8745078522..8d3795c7fa 100644 --- a/src/COLLOID/pair_brownian.h +++ b/src/COLLOID/pair_brownian.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_brownian_poly.h b/src/COLLOID/pair_brownian_poly.h index 7808583876..875ce5b75d 100644 --- a/src/COLLOID/pair_brownian_poly.h +++ b/src/COLLOID/pair_brownian_poly.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_colloid.h b/src/COLLOID/pair_colloid.h index 24ebb9953c..6b52abe7db 100644 --- a/src/COLLOID/pair_colloid.h +++ b/src/COLLOID/pair_colloid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_lubricate.h b/src/COLLOID/pair_lubricate.h index c2c4c6c417..2c66b7e324 100644 --- a/src/COLLOID/pair_lubricate.h +++ b/src/COLLOID/pair_lubricate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_lubricateU.h b/src/COLLOID/pair_lubricateU.h index 4968c665a6..f588e21cda 100644 --- a/src/COLLOID/pair_lubricateU.h +++ b/src/COLLOID/pair_lubricateU.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_lubricateU_poly.h b/src/COLLOID/pair_lubricateU_poly.h index 0f22809cf2..35d5ad082a 100644 --- a/src/COLLOID/pair_lubricateU_poly.h +++ b/src/COLLOID/pair_lubricateU_poly.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_lubricate_poly.h b/src/COLLOID/pair_lubricate_poly.h index 5e58b24254..add7d2e3e3 100644 --- a/src/COLLOID/pair_lubricate_poly.h +++ b/src/COLLOID/pair_lubricate_poly.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COLLOID/pair_yukawa_colloid.h b/src/COLLOID/pair_yukawa_colloid.h index ac15d535b3..72ee88e7b6 100644 --- a/src/COLLOID/pair_yukawa_colloid.h +++ b/src/COLLOID/pair_yukawa_colloid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_atom_gz.h b/src/COMPRESS/dump_atom_gz.h index d540f5300a..7aa42ced5a 100644 --- a/src/COMPRESS/dump_atom_gz.h +++ b/src/COMPRESS/dump_atom_gz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_atom_zstd.h b/src/COMPRESS/dump_atom_zstd.h index 30108eeee9..a1ff05f040 100644 --- a/src/COMPRESS/dump_atom_zstd.h +++ b/src/COMPRESS/dump_atom_zstd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_cfg_gz.h b/src/COMPRESS/dump_cfg_gz.h index 2844902a38..2294198340 100644 --- a/src/COMPRESS/dump_cfg_gz.h +++ b/src/COMPRESS/dump_cfg_gz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_cfg_zstd.h b/src/COMPRESS/dump_cfg_zstd.h index 6f4fe8face..1caf5ce657 100644 --- a/src/COMPRESS/dump_cfg_zstd.h +++ b/src/COMPRESS/dump_cfg_zstd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_custom_gz.h b/src/COMPRESS/dump_custom_gz.h index db30b944ec..a8e499891c 100644 --- a/src/COMPRESS/dump_custom_gz.h +++ b/src/COMPRESS/dump_custom_gz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_custom_zstd.h b/src/COMPRESS/dump_custom_zstd.h index ce3f1325c5..679a908192 100644 --- a/src/COMPRESS/dump_custom_zstd.h +++ b/src/COMPRESS/dump_custom_zstd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_local_gz.h b/src/COMPRESS/dump_local_gz.h index 7feb6a8945..93b605e0b9 100644 --- a/src/COMPRESS/dump_local_gz.h +++ b/src/COMPRESS/dump_local_gz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_local_zstd.h b/src/COMPRESS/dump_local_zstd.h index 398b1c3337..9d192679ee 100644 --- a/src/COMPRESS/dump_local_zstd.h +++ b/src/COMPRESS/dump_local_zstd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_xyz_gz.h b/src/COMPRESS/dump_xyz_gz.h index 2fce0a3f5a..02903ddb8e 100644 --- a/src/COMPRESS/dump_xyz_gz.h +++ b/src/COMPRESS/dump_xyz_gz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/dump_xyz_zstd.h b/src/COMPRESS/dump_xyz_zstd.h index 2422341557..56204c350b 100644 --- a/src/COMPRESS/dump_xyz_zstd.h +++ b/src/COMPRESS/dump_xyz_zstd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/gz_file_writer.h b/src/COMPRESS/gz_file_writer.h index 28473b1164..af91572d8e 100644 --- a/src/COMPRESS/gz_file_writer.h +++ b/src/COMPRESS/gz_file_writer.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/COMPRESS/zstd_file_writer.h b/src/COMPRESS/zstd_file_writer.h index a4dbbdff64..8980666856 100644 --- a/src/COMPRESS/zstd_file_writer.h +++ b/src/COMPRESS/zstd_file_writer.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/compute_temp_cs.h b/src/CORESHELL/compute_temp_cs.h index 3e93e4a68c..c05d96415b 100644 --- a/src/CORESHELL/compute_temp_cs.h +++ b/src/CORESHELL/compute_temp_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_born_coul_dsf_cs.h b/src/CORESHELL/pair_born_coul_dsf_cs.h index a49df5971c..a3bd036fc6 100644 --- a/src/CORESHELL/pair_born_coul_dsf_cs.h +++ b/src/CORESHELL/pair_born_coul_dsf_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_born_coul_long_cs.h b/src/CORESHELL/pair_born_coul_long_cs.h index 68c29e4fc2..fdf50e0d88 100644 --- a/src/CORESHELL/pair_born_coul_long_cs.h +++ b/src/CORESHELL/pair_born_coul_long_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_born_coul_wolf_cs.h b/src/CORESHELL/pair_born_coul_wolf_cs.h index 00bbd5874c..a6e2625942 100644 --- a/src/CORESHELL/pair_born_coul_wolf_cs.h +++ b/src/CORESHELL/pair_born_coul_wolf_cs.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_buck_coul_long_cs.h b/src/CORESHELL/pair_buck_coul_long_cs.h index d6b117d677..bdca1fe5a8 100644 --- a/src/CORESHELL/pair_buck_coul_long_cs.h +++ b/src/CORESHELL/pair_buck_coul_long_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_coul_long_cs.h b/src/CORESHELL/pair_coul_long_cs.h index 48c1acb691..377c025000 100644 --- a/src/CORESHELL/pair_coul_long_cs.h +++ b/src/CORESHELL/pair_coul_long_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_coul_wolf_cs.h b/src/CORESHELL/pair_coul_wolf_cs.h index 8d98b1bbc6..b6369d4091 100644 --- a/src/CORESHELL/pair_coul_wolf_cs.h +++ b/src/CORESHELL/pair_coul_wolf_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_lj_class2_coul_long_cs.h b/src/CORESHELL/pair_lj_class2_coul_long_cs.h index b37685bda1..50833881ec 100644 --- a/src/CORESHELL/pair_lj_class2_coul_long_cs.h +++ b/src/CORESHELL/pair_lj_class2_coul_long_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/CORESHELL/pair_lj_cut_coul_long_cs.h b/src/CORESHELL/pair_lj_cut_coul_long_cs.h index ba67e14978..e9fbc151d0 100644 --- a/src/CORESHELL/pair_lj_cut_coul_long_cs.h +++ b/src/CORESHELL/pair_lj_cut_coul_long_cs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h index 2030892a43..5239b8c13b 100644 --- a/src/DIPOLE/atom_vec_dipole.h +++ b/src/DIPOLE/atom_vec_dipole.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.h b/src/DIPOLE/pair_lj_cut_dipole_cut.h index 2cf38bb865..70e898f3eb 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.h +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/DIPOLE/pair_lj_long_dipole_long.h b/src/DIPOLE/pair_lj_long_dipole_long.h index 365ca3cf51..012b2b546e 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.h +++ b/src/DIPOLE/pair_lj_long_dipole_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h index 29a0907915..594a9fc144 100644 --- a/src/GPU/fix_gpu.h +++ b/src/GPU/fix_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_nh_gpu.h b/src/GPU/fix_nh_gpu.h index edd210e813..6c764b7687 100644 --- a/src/GPU/fix_nh_gpu.h +++ b/src/GPU/fix_nh_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_npt_gpu.h b/src/GPU/fix_npt_gpu.h index 2684935fe5..1b9f7066ac 100644 --- a/src/GPU/fix_npt_gpu.h +++ b/src/GPU/fix_npt_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_nve_asphere_gpu.h b/src/GPU/fix_nve_asphere_gpu.h index 3c67e0e024..55b412c851 100644 --- a/src/GPU/fix_nve_asphere_gpu.h +++ b/src/GPU/fix_nve_asphere_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_nve_gpu.h b/src/GPU/fix_nve_gpu.h index 1042d4eadd..671e3a1376 100644 --- a/src/GPU/fix_nve_gpu.h +++ b/src/GPU/fix_nve_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/fix_nvt_gpu.h b/src/GPU/fix_nvt_gpu.h index 7ccba97040..2623f92197 100644 --- a/src/GPU/fix_nvt_gpu.h +++ b/src/GPU/fix_nvt_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/gpu_extra.h b/src/GPU/gpu_extra.h index 1a957c9aef..81d2a6a511 100644 --- a/src/GPU/gpu_extra.h +++ b/src/GPU/gpu_extra.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_beck_gpu.h b/src/GPU/pair_beck_gpu.h index 8fd2cfad45..3500c7f765 100644 --- a/src/GPU/pair_beck_gpu.h +++ b/src/GPU/pair_beck_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_born_coul_long_cs_gpu.h b/src/GPU/pair_born_coul_long_cs_gpu.h index 65c80157f2..db8d015bce 100644 --- a/src/GPU/pair_born_coul_long_cs_gpu.h +++ b/src/GPU/pair_born_coul_long_cs_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_born_coul_long_gpu.h b/src/GPU/pair_born_coul_long_gpu.h index e929826a24..d9734fc401 100644 --- a/src/GPU/pair_born_coul_long_gpu.h +++ b/src/GPU/pair_born_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.h b/src/GPU/pair_born_coul_wolf_cs_gpu.h index 5f4f4ea35c..92f6b163ab 100644 --- a/src/GPU/pair_born_coul_wolf_cs_gpu.h +++ b/src/GPU/pair_born_coul_wolf_cs_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_born_coul_wolf_gpu.h b/src/GPU/pair_born_coul_wolf_gpu.h index 6eb03f3e1a..6ca528c606 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.h +++ b/src/GPU/pair_born_coul_wolf_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_born_gpu.h b/src/GPU/pair_born_gpu.h index d8ccbe0029..31aa978761 100644 --- a/src/GPU/pair_born_gpu.h +++ b/src/GPU/pair_born_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_buck_coul_cut_gpu.h b/src/GPU/pair_buck_coul_cut_gpu.h index d4e9a81d7b..9e81a88b19 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.h +++ b/src/GPU/pair_buck_coul_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_buck_coul_long_gpu.h b/src/GPU/pair_buck_coul_long_gpu.h index 3925209ae1..741aaeb641 100644 --- a/src/GPU/pair_buck_coul_long_gpu.h +++ b/src/GPU/pair_buck_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_buck_gpu.h b/src/GPU/pair_buck_gpu.h index 4cd34db782..5b29bc7125 100644 --- a/src/GPU/pair_buck_gpu.h +++ b/src/GPU/pair_buck_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_colloid_gpu.h b/src/GPU/pair_colloid_gpu.h index 78ecfbc59a..6face4ea25 100644 --- a/src/GPU/pair_colloid_gpu.h +++ b/src/GPU/pair_colloid_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_coul_cut_gpu.h b/src/GPU/pair_coul_cut_gpu.h index 352147dbb9..10b1f4510e 100644 --- a/src/GPU/pair_coul_cut_gpu.h +++ b/src/GPU/pair_coul_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_coul_debye_gpu.h b/src/GPU/pair_coul_debye_gpu.h index 9cc379d1ed..1fe4a05c8d 100644 --- a/src/GPU/pair_coul_debye_gpu.h +++ b/src/GPU/pair_coul_debye_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_coul_dsf_gpu.h b/src/GPU/pair_coul_dsf_gpu.h index 526b30a5c5..413ef2468e 100644 --- a/src/GPU/pair_coul_dsf_gpu.h +++ b/src/GPU/pair_coul_dsf_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_coul_long_cs_gpu.h b/src/GPU/pair_coul_long_cs_gpu.h index 95ed8d0182..8e712e384c 100644 --- a/src/GPU/pair_coul_long_cs_gpu.h +++ b/src/GPU/pair_coul_long_cs_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_coul_long_gpu.h b/src/GPU/pair_coul_long_gpu.h index 7cfb55cd9f..6e580302de 100644 --- a/src/GPU/pair_coul_long_gpu.h +++ b/src/GPU/pair_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_dpd_gpu.h b/src/GPU/pair_dpd_gpu.h index e9d91b7ae0..a83d30101c 100644 --- a/src/GPU/pair_dpd_gpu.h +++ b/src/GPU/pair_dpd_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_dpd_tstat_gpu.h b/src/GPU/pair_dpd_tstat_gpu.h index f36944d6d6..e59e767f6a 100644 --- a/src/GPU/pair_dpd_tstat_gpu.h +++ b/src/GPU/pair_dpd_tstat_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h index 3cd78ea511..250e1f5540 100644 --- a/src/GPU/pair_eam_alloy_gpu.h +++ b/src/GPU/pair_eam_alloy_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h index 53825f2e8a..819f37e554 100644 --- a/src/GPU/pair_eam_fs_gpu.h +++ b/src/GPU/pair_eam_fs_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_eam_gpu.h b/src/GPU/pair_eam_gpu.h index 09566f7de9..857b5d59b1 100644 --- a/src/GPU/pair_eam_gpu.h +++ b/src/GPU/pair_eam_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_gauss_gpu.h b/src/GPU/pair_gauss_gpu.h index bda2e2644a..5fe30a68bd 100644 --- a/src/GPU/pair_gauss_gpu.h +++ b/src/GPU/pair_gauss_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h index 88197f06bd..d86a9c2187 100644 --- a/src/GPU/pair_gayberne_gpu.h +++ b/src/GPU/pair_gayberne_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj96_cut_gpu.h b/src/GPU/pair_lj96_cut_gpu.h index d0acbfe350..2296e04212 100644 --- a/src/GPU/pair_lj96_cut_gpu.h +++ b/src/GPU/pair_lj96_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_charmm_coul_charmm_gpu.h b/src/GPU/pair_lj_charmm_coul_charmm_gpu.h index d80730ca5c..3e84d9abaf 100644 --- a/src/GPU/pair_lj_charmm_coul_charmm_gpu.h +++ b/src/GPU/pair_lj_charmm_coul_charmm_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.h b/src/GPU/pair_lj_charmm_coul_long_gpu.h index 3c21ef4f37..910646a2c8 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.h +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.h b/src/GPU/pair_lj_class2_coul_long_gpu.h index 8fe8a1c6db..6c171c0498 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.h +++ b/src/GPU/pair_lj_class2_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_class2_gpu.h b/src/GPU/pair_lj_class2_gpu.h index 470d15bc4a..46eda57f17 100644 --- a/src/GPU/pair_lj_class2_gpu.h +++ b/src/GPU/pair_lj_class2_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cubic_gpu.h b/src/GPU/pair_lj_cubic_gpu.h index cdfc157e8e..855c1282e5 100644 --- a/src/GPU/pair_lj_cubic_gpu.h +++ b/src/GPU/pair_lj_cubic_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.h b/src/GPU/pair_lj_cut_coul_cut_gpu.h index 97d661c83f..7efe61f18a 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.h +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.h b/src/GPU/pair_lj_cut_coul_debye_gpu.h index 6b0f2ed8d7..12ac8b64cc 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.h +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.h b/src/GPU/pair_lj_cut_coul_dsf_gpu.h index 93cc5f6f3d..e86d008c29 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.h +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.h b/src/GPU/pair_lj_cut_coul_long_gpu.h index cea285fa04..eefb1c928d 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.h +++ b/src/GPU/pair_lj_cut_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.h b/src/GPU/pair_lj_cut_coul_msm_gpu.h index ca18ca89e4..b8d7382333 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.h +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.h b/src/GPU/pair_lj_cut_dipole_cut_gpu.h index b665137955..6ddfff47f0 100644 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.h +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.h b/src/GPU/pair_lj_cut_dipole_long_gpu.h index dc72921583..44695fcd28 100644 --- a/src/GPU/pair_lj_cut_dipole_long_gpu.h +++ b/src/GPU/pair_lj_cut_dipole_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_gpu.h b/src/GPU/pair_lj_cut_gpu.h index d0587d0a46..b86946f149 100644 --- a/src/GPU/pair_lj_cut_gpu.h +++ b/src/GPU/pair_lj_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.h b/src/GPU/pair_lj_cut_tip4p_long_gpu.h index e7ba93afb2..87ddce85bb 100644 --- a/src/GPU/pair_lj_cut_tip4p_long_gpu.h +++ b/src/GPU/pair_lj_cut_tip4p_long_gpu.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.h b/src/GPU/pair_lj_expand_coul_long_gpu.h index 4b39d8679b..662da29786 100644 --- a/src/GPU/pair_lj_expand_coul_long_gpu.h +++ b/src/GPU/pair_lj_expand_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_expand_gpu.h b/src/GPU/pair_lj_expand_gpu.h index f031fe5f6c..7e1536f366 100644 --- a/src/GPU/pair_lj_expand_gpu.h +++ b/src/GPU/pair_lj_expand_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_gromacs_gpu.h b/src/GPU/pair_lj_gromacs_gpu.h index 4f00662021..689abc0223 100644 --- a/src/GPU/pair_lj_gromacs_gpu.h +++ b/src/GPU/pair_lj_gromacs_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.h b/src/GPU/pair_lj_sdk_coul_long_gpu.h index 3248e94977..10a45c3c8d 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.h +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_sdk_gpu.h b/src/GPU/pair_lj_sdk_gpu.h index 3865b34046..dcbb82bca6 100644 --- a/src/GPU/pair_lj_sdk_gpu.h +++ b/src/GPU/pair_lj_sdk_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.h b/src/GPU/pair_lj_sf_dipole_sf_gpu.h index 79df327293..050fa472fc 100644 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.h +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_mie_cut_gpu.h b/src/GPU/pair_mie_cut_gpu.h index 2e9096e172..4520895ed5 100644 --- a/src/GPU/pair_mie_cut_gpu.h +++ b/src/GPU/pair_mie_cut_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_morse_gpu.h b/src/GPU/pair_morse_gpu.h index 23bfc431c0..663b4b8c6b 100644 --- a/src/GPU/pair_morse_gpu.h +++ b/src/GPU/pair_morse_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_resquared_gpu.h b/src/GPU/pair_resquared_gpu.h index ab87ff80b5..40bbee1f4f 100644 --- a/src/GPU/pair_resquared_gpu.h +++ b/src/GPU/pair_resquared_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_soft_gpu.h b/src/GPU/pair_soft_gpu.h index 61e8ee3db5..401d1035fd 100644 --- a/src/GPU/pair_soft_gpu.h +++ b/src/GPU/pair_soft_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_sw_gpu.h b/src/GPU/pair_sw_gpu.h index 95417386d8..a5eea58cf9 100644 --- a/src/GPU/pair_sw_gpu.h +++ b/src/GPU/pair_sw_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_table_gpu.h b/src/GPU/pair_table_gpu.h index 33cfa81268..255e7a9cce 100644 --- a/src/GPU/pair_table_gpu.h +++ b/src/GPU/pair_table_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_tersoff_gpu.h b/src/GPU/pair_tersoff_gpu.h index ed3dadef5d..c44ed5f5f2 100644 --- a/src/GPU/pair_tersoff_gpu.h +++ b/src/GPU/pair_tersoff_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_tersoff_mod_gpu.h b/src/GPU/pair_tersoff_mod_gpu.h index b3564afada..7a9ebb6a8a 100644 --- a/src/GPU/pair_tersoff_mod_gpu.h +++ b/src/GPU/pair_tersoff_mod_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_tersoff_zbl_gpu.h b/src/GPU/pair_tersoff_zbl_gpu.h index 6ee387aec4..9e0547b495 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.h +++ b/src/GPU/pair_tersoff_zbl_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_ufm_gpu.h b/src/GPU/pair_ufm_gpu.h index 59b883f3aa..766a0a1e75 100644 --- a/src/GPU/pair_ufm_gpu.h +++ b/src/GPU/pair_ufm_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_vashishta_gpu.h b/src/GPU/pair_vashishta_gpu.h index d54ede505b..540b7306ba 100644 --- a/src/GPU/pair_vashishta_gpu.h +++ b/src/GPU/pair_vashishta_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_yukawa_colloid_gpu.h b/src/GPU/pair_yukawa_colloid_gpu.h index 218cfa3320..d11a45af19 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.h +++ b/src/GPU/pair_yukawa_colloid_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_yukawa_gpu.h b/src/GPU/pair_yukawa_gpu.h index 8210fe582e..d7bcccc9c1 100644 --- a/src/GPU/pair_yukawa_gpu.h +++ b/src/GPU/pair_yukawa_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pair_zbl_gpu.h b/src/GPU/pair_zbl_gpu.h index 3e6ac37394..ec1c3044f0 100644 --- a/src/GPU/pair_zbl_gpu.h +++ b/src/GPU/pair_zbl_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GPU/pppm_gpu.h b/src/GPU/pppm_gpu.h index 60b7e06d09..f6f4ab0ef2 100644 --- a/src/GPU/pppm_gpu.h +++ b/src/GPU/pppm_gpu.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/fix_freeze.h b/src/GRANULAR/fix_freeze.h index a249226aa7..4cf36ffc4e 100644 --- a/src/GRANULAR/fix_freeze.h +++ b/src/GRANULAR/fix_freeze.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h index b56c1ca74f..8ea69a936a 100644 --- a/src/GRANULAR/fix_pour.h +++ b/src/GRANULAR/fix_pour.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h index da48150fd0..560067aa11 100644 --- a/src/GRANULAR/fix_wall_gran.h +++ b/src/GRANULAR/fix_wall_gran.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/fix_wall_gran_region.h b/src/GRANULAR/fix_wall_gran_region.h index fd40e27e4c..2be9b1f693 100644 --- a/src/GRANULAR/fix_wall_gran_region.h +++ b/src/GRANULAR/fix_wall_gran_region.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/pair_gran_hertz_history.h b/src/GRANULAR/pair_gran_hertz_history.h index 6d6b7a1fed..b813149c7c 100644 --- a/src/GRANULAR/pair_gran_hertz_history.h +++ b/src/GRANULAR/pair_gran_hertz_history.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/pair_gran_hooke.h b/src/GRANULAR/pair_gran_hooke.h index 023438387c..a2d9cf4c3e 100644 --- a/src/GRANULAR/pair_gran_hooke.h +++ b/src/GRANULAR/pair_gran_hooke.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index f511d30237..70c8c469ca 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/GRANULAR/pair_granular.h b/src/GRANULAR/pair_granular.h index 49eb457f0d..213d4d8c87 100644 --- a/src/GRANULAR/pair_granular.h +++ b/src/GRANULAR/pair_granular.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/fix_store_kim.h b/src/KIM/fix_store_kim.h index 63a2edb74e..7244bd1b5f 100644 --- a/src/KIM/fix_store_kim.h +++ b/src/KIM/fix_store_kim.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_command.h b/src/KIM/kim_command.h index b27b0e0873..f54ce58c22 100644 --- a/src/KIM/kim_command.h +++ b/src/KIM/kim_command.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_init.h b/src/KIM/kim_init.h index a345340dc9..866744e236 100644 --- a/src/KIM/kim_init.h +++ b/src/KIM/kim_init.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_interactions.h b/src/KIM/kim_interactions.h index 8790f2df14..46fc95bff9 100644 --- a/src/KIM/kim_interactions.h +++ b/src/KIM/kim_interactions.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_param.h b/src/KIM/kim_param.h index 7988e494be..b19d2c507b 100644 --- a/src/KIM/kim_param.h +++ b/src/KIM/kim_param.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_property.h b/src/KIM/kim_property.h index a804ad573c..7b5c999c66 100644 --- a/src/KIM/kim_property.h +++ b/src/KIM/kim_property.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_query.h b/src/KIM/kim_query.h index ce59e2f67f..5d71856ee0 100644 --- a/src/KIM/kim_query.h +++ b/src/KIM/kim_query.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/kim_units.h b/src/KIM/kim_units.h index 7130ce56d6..caf88d7c76 100644 --- a/src/KIM/kim_units.h +++ b/src/KIM/kim_units.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h index cceecff14d..b769107b71 100644 --- a/src/KIM/pair_kim.h +++ b/src/KIM/pair_kim.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/angle_charmm_kokkos.h b/src/KOKKOS/angle_charmm_kokkos.h index c7f64d4c22..7abb1d0ad2 100644 --- a/src/KOKKOS/angle_charmm_kokkos.h +++ b/src/KOKKOS/angle_charmm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/angle_class2_kokkos.h b/src/KOKKOS/angle_class2_kokkos.h index 399ef3c47a..adc5ec7f4a 100644 --- a/src/KOKKOS/angle_class2_kokkos.h +++ b/src/KOKKOS/angle_class2_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/angle_cosine_kokkos.h b/src/KOKKOS/angle_cosine_kokkos.h index 8ea6719814..0d1eb863e1 100644 --- a/src/KOKKOS/angle_cosine_kokkos.h +++ b/src/KOKKOS/angle_cosine_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/angle_harmonic_kokkos.h b/src/KOKKOS/angle_harmonic_kokkos.h index 7fac902907..a826e28ff1 100644 --- a/src/KOKKOS/angle_harmonic_kokkos.h +++ b/src/KOKKOS/angle_harmonic_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_kokkos.h b/src/KOKKOS/atom_kokkos.h index f5cf4916cf..c4845173f2 100644 --- a/src/KOKKOS/atom_kokkos.h +++ b/src/KOKKOS/atom_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_angle_kokkos.h b/src/KOKKOS/atom_vec_angle_kokkos.h index 29b5ce8fc5..fcaaf5659e 100644 --- a/src/KOKKOS/atom_vec_angle_kokkos.h +++ b/src/KOKKOS/atom_vec_angle_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.h b/src/KOKKOS/atom_vec_atomic_kokkos.h index 2c682d4989..30a6c43b7e 100644 --- a/src/KOKKOS/atom_vec_atomic_kokkos.h +++ b/src/KOKKOS/atom_vec_atomic_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale AtomicKokkos/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_bond_kokkos.h b/src/KOKKOS/atom_vec_bond_kokkos.h index 7f4d04c037..e73299dff0 100644 --- a/src/KOKKOS/atom_vec_bond_kokkos.h +++ b/src/KOKKOS/atom_vec_bond_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_charge_kokkos.h b/src/KOKKOS/atom_vec_charge_kokkos.h index 4d61b2a69c..00cf079039 100644 --- a/src/KOKKOS/atom_vec_charge_kokkos.h +++ b/src/KOKKOS/atom_vec_charge_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.h b/src/KOKKOS/atom_vec_dpd_kokkos.h index 71b0c85590..2ac6ff1c9b 100644 --- a/src/KOKKOS/atom_vec_dpd_kokkos.h +++ b/src/KOKKOS/atom_vec_dpd_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale AtomicKokkos/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_full_kokkos.h b/src/KOKKOS/atom_vec_full_kokkos.h index 4a5a61e913..0a0f779884 100644 --- a/src/KOKKOS/atom_vec_full_kokkos.h +++ b/src/KOKKOS/atom_vec_full_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_hybrid_kokkos.h b/src/KOKKOS/atom_vec_hybrid_kokkos.h index 3354735bf7..c70da508c8 100644 --- a/src/KOKKOS/atom_vec_hybrid_kokkos.h +++ b/src/KOKKOS/atom_vec_hybrid_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_kokkos.h b/src/KOKKOS/atom_vec_kokkos.h index f81b7715ad..55ebf3d960 100644 --- a/src/KOKKOS/atom_vec_kokkos.h +++ b/src/KOKKOS/atom_vec_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_molecular_kokkos.h b/src/KOKKOS/atom_vec_molecular_kokkos.h index a356c6821c..7872dab52c 100644 --- a/src/KOKKOS/atom_vec_molecular_kokkos.h +++ b/src/KOKKOS/atom_vec_molecular_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_sphere_kokkos.h b/src/KOKKOS/atom_vec_sphere_kokkos.h index 676df431d1..6edda5dcdf 100644 --- a/src/KOKKOS/atom_vec_sphere_kokkos.h +++ b/src/KOKKOS/atom_vec_sphere_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_spin_kokkos.cpp b/src/KOKKOS/atom_vec_spin_kokkos.cpp index 399ab23a5f..afa1b6136a 100644 --- a/src/KOKKOS/atom_vec_spin_kokkos.cpp +++ b/src/KOKKOS/atom_vec_spin_kokkos.cpp @@ -1,7 +1,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/atom_vec_spin_kokkos.h b/src/KOKKOS/atom_vec_spin_kokkos.h index bcb5ea3b45..c5f9a826ec 100644 --- a/src/KOKKOS/atom_vec_spin_kokkos.h +++ b/src/KOKKOS/atom_vec_spin_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/bond_class2_kokkos.h b/src/KOKKOS/bond_class2_kokkos.h index b3c1d5f682..15d3af7570 100644 --- a/src/KOKKOS/bond_class2_kokkos.h +++ b/src/KOKKOS/bond_class2_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/bond_fene_kokkos.h b/src/KOKKOS/bond_fene_kokkos.h index 83f21c5934..751c7f8312 100644 --- a/src/KOKKOS/bond_fene_kokkos.h +++ b/src/KOKKOS/bond_fene_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/bond_harmonic_kokkos.h b/src/KOKKOS/bond_harmonic_kokkos.h index cf716ec843..b337dff0db 100644 --- a/src/KOKKOS/bond_harmonic_kokkos.h +++ b/src/KOKKOS/bond_harmonic_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/comm_kokkos.h b/src/KOKKOS/comm_kokkos.h index c5772bafe7..b66de5a0d0 100644 --- a/src/KOKKOS/comm_kokkos.h +++ b/src/KOKKOS/comm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/comm_tiled_kokkos.h b/src/KOKKOS/comm_tiled_kokkos.h index 96944bc7d1..28f88de7b3 100644 --- a/src/KOKKOS/comm_tiled_kokkos.h +++ b/src/KOKKOS/comm_tiled_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/compute_coord_atom_kokkos.h b/src/KOKKOS/compute_coord_atom_kokkos.h index f292994a18..37b9d1f683 100644 --- a/src/KOKKOS/compute_coord_atom_kokkos.h +++ b/src/KOKKOS/compute_coord_atom_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/compute_orientorder_atom_kokkos.h b/src/KOKKOS/compute_orientorder_atom_kokkos.h index 7d8005f89b..80f2ddb221 100644 --- a/src/KOKKOS/compute_orientorder_atom_kokkos.h +++ b/src/KOKKOS/compute_orientorder_atom_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/compute_temp_kokkos.h b/src/KOKKOS/compute_temp_kokkos.h index 555881869d..61c7501784 100644 --- a/src/KOKKOS/compute_temp_kokkos.h +++ b/src/KOKKOS/compute_temp_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/dihedral_charmm_kokkos.h b/src/KOKKOS/dihedral_charmm_kokkos.h index 828abd2be7..dbd9986bf9 100644 --- a/src/KOKKOS/dihedral_charmm_kokkos.h +++ b/src/KOKKOS/dihedral_charmm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/dihedral_class2_kokkos.h b/src/KOKKOS/dihedral_class2_kokkos.h index 0d0309928d..ef2b7f68ab 100644 --- a/src/KOKKOS/dihedral_class2_kokkos.h +++ b/src/KOKKOS/dihedral_class2_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/dihedral_harmonic_kokkos.h b/src/KOKKOS/dihedral_harmonic_kokkos.h index f90e8944a4..1c50a9a4a5 100644 --- a/src/KOKKOS/dihedral_harmonic_kokkos.h +++ b/src/KOKKOS/dihedral_harmonic_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/dihedral_opls_kokkos.h b/src/KOKKOS/dihedral_opls_kokkos.h index b841193064..2ec2c4e4fa 100644 --- a/src/KOKKOS/dihedral_opls_kokkos.h +++ b/src/KOKKOS/dihedral_opls_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/domain_kokkos.h b/src/KOKKOS/domain_kokkos.h index 3bfdeb708b..be0a036d06 100644 --- a/src/KOKKOS/domain_kokkos.h +++ b/src/KOKKOS/domain_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fft3d_kokkos.h b/src/KOKKOS/fft3d_kokkos.h index d78cd6d7c9..9a20580d4a 100644 --- a/src/KOKKOS/fft3d_kokkos.h +++ b/src/KOKKOS/fft3d_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fftdata_kokkos.h b/src/KOKKOS/fftdata_kokkos.h index 51c444c2a3..ba62670bdf 100644 --- a/src/KOKKOS/fftdata_kokkos.h +++ b/src/KOKKOS/fftdata_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_deform_kokkos.h b/src/KOKKOS/fix_deform_kokkos.h index 69f65fbcf4..4388030ec3 100644 --- a/src/KOKKOS/fix_deform_kokkos.h +++ b/src/KOKKOS/fix_deform_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_dpd_energy_kokkos.h b/src/KOKKOS/fix_dpd_energy_kokkos.h index 32066c1195..ddf33a5181 100644 --- a/src/KOKKOS/fix_dpd_energy_kokkos.h +++ b/src/KOKKOS/fix_dpd_energy_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_enforce2d_kokkos.h b/src/KOKKOS/fix_enforce2d_kokkos.h index 520a58de04..df07a87f73 100644 --- a/src/KOKKOS/fix_enforce2d_kokkos.h +++ b/src/KOKKOS/fix_enforce2d_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.h b/src/KOKKOS/fix_eos_table_rx_kokkos.h index 21ec3d203b..4ca94f86cf 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.h +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_freeze_kokkos.h b/src/KOKKOS/fix_freeze_kokkos.h index 3b5bc8e437..4fdcb26c52 100644 --- a/src/KOKKOS/fix_freeze_kokkos.h +++ b/src/KOKKOS/fix_freeze_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_gravity_kokkos.h b/src/KOKKOS/fix_gravity_kokkos.h index 9aa9ef803f..1b9deaf247 100644 --- a/src/KOKKOS/fix_gravity_kokkos.h +++ b/src/KOKKOS/fix_gravity_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_langevin_kokkos.h b/src/KOKKOS/fix_langevin_kokkos.h index 411adc2219..f6e1c47a08 100644 --- a/src/KOKKOS/fix_langevin_kokkos.h +++ b/src/KOKKOS/fix_langevin_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_minimize_kokkos.h b/src/KOKKOS/fix_minimize_kokkos.h index 921cb2fc5d..0a6587c6da 100644 --- a/src/KOKKOS/fix_minimize_kokkos.h +++ b/src/KOKKOS/fix_minimize_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_momentum_kokkos.h b/src/KOKKOS/fix_momentum_kokkos.h index bc370fe674..4892f40aa4 100644 --- a/src/KOKKOS/fix_momentum_kokkos.h +++ b/src/KOKKOS/fix_momentum_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_neigh_history_kokkos.h b/src/KOKKOS/fix_neigh_history_kokkos.h index ba594a567f..513d29be2d 100644 --- a/src/KOKKOS/fix_neigh_history_kokkos.h +++ b/src/KOKKOS/fix_neigh_history_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_nh_kokkos.h b/src/KOKKOS/fix_nh_kokkos.h index ae18bd6dbd..06c4fecab1 100644 --- a/src/KOKKOS/fix_nh_kokkos.h +++ b/src/KOKKOS/fix_nh_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_nph_kokkos.h b/src/KOKKOS/fix_nph_kokkos.h index f555814a3a..c9feccba29 100644 --- a/src/KOKKOS/fix_nph_kokkos.h +++ b/src/KOKKOS/fix_nph_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_npt_kokkos.h b/src/KOKKOS/fix_npt_kokkos.h index 3d23fd9d8f..a04eb0ba92 100644 --- a/src/KOKKOS/fix_npt_kokkos.h +++ b/src/KOKKOS/fix_npt_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_nve_kokkos.h b/src/KOKKOS/fix_nve_kokkos.h index e5a551914b..5894b7c07e 100644 --- a/src/KOKKOS/fix_nve_kokkos.h +++ b/src/KOKKOS/fix_nve_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_nve_sphere_kokkos.h b/src/KOKKOS/fix_nve_sphere_kokkos.h index 87a1835eb7..41d5964f7f 100644 --- a/src/KOKKOS/fix_nve_sphere_kokkos.h +++ b/src/KOKKOS/fix_nve_sphere_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_nvt_kokkos.h b/src/KOKKOS/fix_nvt_kokkos.h index 4084b4f032..8ca680eb61 100644 --- a/src/KOKKOS/fix_nvt_kokkos.h +++ b/src/KOKKOS/fix_nvt_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_property_atom_kokkos.h b/src/KOKKOS/fix_property_atom_kokkos.h index ed1e4d7cfb..ade4375654 100644 --- a/src/KOKKOS/fix_property_atom_kokkos.h +++ b/src/KOKKOS/fix_property_atom_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_qeq_reax_kokkos.h b/src/KOKKOS/fix_qeq_reax_kokkos.h index bbfeb00266..e0205ce801 100644 --- a/src/KOKKOS/fix_qeq_reax_kokkos.h +++ b/src/KOKKOS/fix_qeq_reax_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_reaxc_bonds_kokkos.h b/src/KOKKOS/fix_reaxc_bonds_kokkos.h index 55adb6f8d9..d8a5d3a1cc 100644 --- a/src/KOKKOS/fix_reaxc_bonds_kokkos.h +++ b/src/KOKKOS/fix_reaxc_bonds_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_reaxc_species_kokkos.h b/src/KOKKOS/fix_reaxc_species_kokkos.h index 7c163b23b5..8e5f961f17 100644 --- a/src/KOKKOS/fix_reaxc_species_kokkos.h +++ b/src/KOKKOS/fix_reaxc_species_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_rx_kokkos.h b/src/KOKKOS/fix_rx_kokkos.h index 0033e69649..1f7b66a18c 100644 --- a/src/KOKKOS/fix_rx_kokkos.h +++ b/src/KOKKOS/fix_rx_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_setforce_kokkos.h b/src/KOKKOS/fix_setforce_kokkos.h index 709d31279b..5a8ba19d97 100644 --- a/src/KOKKOS/fix_setforce_kokkos.h +++ b/src/KOKKOS/fix_setforce_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_shake_kokkos.cpp b/src/KOKKOS/fix_shake_kokkos.cpp index 253c7ee7e0..245d4b5498 100644 --- a/src/KOKKOS/fix_shake_kokkos.cpp +++ b/src/KOKKOS/fix_shake_kokkos.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_shake_kokkos.h b/src/KOKKOS/fix_shake_kokkos.h index 82743573bd..ea3756856c 100644 --- a/src/KOKKOS/fix_shake_kokkos.h +++ b/src/KOKKOS/fix_shake_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_shardlow_kokkos.h b/src/KOKKOS/fix_shardlow_kokkos.h index 1d11de0fcb..1c5813bcfd 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.h +++ b/src/KOKKOS/fix_shardlow_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_wall_lj93_kokkos.h b/src/KOKKOS/fix_wall_lj93_kokkos.h index 15a853d820..ceaeb4d3bd 100644 --- a/src/KOKKOS/fix_wall_lj93_kokkos.h +++ b/src/KOKKOS/fix_wall_lj93_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/fix_wall_reflect_kokkos.h b/src/KOKKOS/fix_wall_reflect_kokkos.h index d59088b592..e1f3f4f9b4 100644 --- a/src/KOKKOS/fix_wall_reflect_kokkos.h +++ b/src/KOKKOS/fix_wall_reflect_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/gridcomm_kokkos.h b/src/KOKKOS/gridcomm_kokkos.h index 1f93c111ca..270ad98ad0 100644 --- a/src/KOKKOS/gridcomm_kokkos.h +++ b/src/KOKKOS/gridcomm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/improper_class2_kokkos.h b/src/KOKKOS/improper_class2_kokkos.h index 11212249e7..b22b2361fa 100644 --- a/src/KOKKOS/improper_class2_kokkos.h +++ b/src/KOKKOS/improper_class2_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/improper_harmonic_kokkos.h b/src/KOKKOS/improper_harmonic_kokkos.h index e143e65adf..e15600dbf7 100644 --- a/src/KOKKOS/improper_harmonic_kokkos.h +++ b/src/KOKKOS/improper_harmonic_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/kissfft_kokkos.h b/src/KOKKOS/kissfft_kokkos.h index 9163366cb9..89e132e85a 100644 --- a/src/KOKKOS/kissfft_kokkos.h +++ b/src/KOKKOS/kissfft_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/kokkos.h b/src/KOKKOS/kokkos.h index b247d583a6..0994ff6e01 100644 --- a/src/KOKKOS/kokkos.h +++ b/src/KOKKOS/kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/kokkos_base.h b/src/KOKKOS/kokkos_base.h index adacaf6ad8..855ccf9108 100644 --- a/src/KOKKOS/kokkos_base.h +++ b/src/KOKKOS/kokkos_base.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/kokkos_base_fft.h b/src/KOKKOS/kokkos_base_fft.h index de3a293126..c087a4d3f6 100644 --- a/src/KOKKOS/kokkos_base_fft.h +++ b/src/KOKKOS/kokkos_base_fft.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/kokkos_type.h b/src/KOKKOS/kokkos_type.h index 8eb9744a94..a00c43bd2d 100644 --- a/src/KOKKOS/kokkos_type.h +++ b/src/KOKKOS/kokkos_type.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/math_special_kokkos.h b/src/KOKKOS/math_special_kokkos.h index d10d164bcf..02b05739ee 100644 --- a/src/KOKKOS/math_special_kokkos.h +++ b/src/KOKKOS/math_special_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/memory_kokkos.h b/src/KOKKOS/memory_kokkos.h index 445ecd87f2..186168b9b1 100644 --- a/src/KOKKOS/memory_kokkos.h +++ b/src/KOKKOS/memory_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/min_cg_kokkos.h b/src/KOKKOS/min_cg_kokkos.h index 745bf702c7..1c51be7e72 100644 --- a/src/KOKKOS/min_cg_kokkos.h +++ b/src/KOKKOS/min_cg_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/min_kokkos.h b/src/KOKKOS/min_kokkos.h index da61d62d43..8cfb3c7c24 100644 --- a/src/KOKKOS/min_kokkos.h +++ b/src/KOKKOS/min_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/min_linesearch_kokkos.h b/src/KOKKOS/min_linesearch_kokkos.h index 5439a93932..6a82c43b93 100644 --- a/src/KOKKOS/min_linesearch_kokkos.h +++ b/src/KOKKOS/min_linesearch_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/modify_kokkos.h b/src/KOKKOS/modify_kokkos.h index 9ae1cfb5e2..99fbb26c5c 100644 --- a/src/KOKKOS/modify_kokkos.h +++ b/src/KOKKOS/modify_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/nbin_kokkos.h b/src/KOKKOS/nbin_kokkos.h index bf2ccc5908..5909dce4d3 100644 --- a/src/KOKKOS/nbin_kokkos.h +++ b/src/KOKKOS/nbin_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/nbin_ssa_kokkos.h b/src/KOKKOS/nbin_ssa_kokkos.h index c9a389bed4..e684a0eec0 100644 --- a/src/KOKKOS/nbin_ssa_kokkos.h +++ b/src/KOKKOS/nbin_ssa_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/neigh_bond_kokkos.h b/src/KOKKOS/neigh_bond_kokkos.h index 6acbb09c1f..ed62a5d859 100644 --- a/src/KOKKOS/neigh_bond_kokkos.h +++ b/src/KOKKOS/neigh_bond_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/neigh_list_kokkos.h b/src/KOKKOS/neigh_list_kokkos.h index 5de871166e..727295ead1 100644 --- a/src/KOKKOS/neigh_list_kokkos.h +++ b/src/KOKKOS/neigh_list_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/neighbor_kokkos.h b/src/KOKKOS/neighbor_kokkos.h index 304fe8f1da..74b82e88ce 100644 --- a/src/KOKKOS/neighbor_kokkos.h +++ b/src/KOKKOS/neighbor_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/npair_copy_kokkos.h b/src/KOKKOS/npair_copy_kokkos.h index 4bbb2749e5..eb330fb1ea 100644 --- a/src/KOKKOS/npair_copy_kokkos.h +++ b/src/KOKKOS/npair_copy_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/npair_halffull_kokkos.h b/src/KOKKOS/npair_halffull_kokkos.h index 15505a376c..cd7571b2c9 100644 --- a/src/KOKKOS/npair_halffull_kokkos.h +++ b/src/KOKKOS/npair_halffull_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/npair_kokkos.h b/src/KOKKOS/npair_kokkos.h index 0d96762432..2f5ee8f70a 100644 --- a/src/KOKKOS/npair_kokkos.h +++ b/src/KOKKOS/npair_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/npair_skip_kokkos.h b/src/KOKKOS/npair_skip_kokkos.h index a274c1738c..61ea2e57e1 100644 --- a/src/KOKKOS/npair_skip_kokkos.h +++ b/src/KOKKOS/npair_skip_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/npair_ssa_kokkos.h b/src/KOKKOS/npair_ssa_kokkos.h index 5bd0a67001..a1ccc21319 100644 --- a/src/KOKKOS/npair_ssa_kokkos.h +++ b/src/KOKKOS/npair_ssa_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pack_kokkos.h b/src/KOKKOS/pack_kokkos.h index 400048b1f0..3baad002b6 100644 --- a/src/KOKKOS/pack_kokkos.h +++ b/src/KOKKOS/pack_kokkos.h @@ -1,4 +1,4 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- SPARTA - Stochastic PArallel Rarefied-gas Time-accurate Analyzer http://sparta.sandia.gov Steve Plimpton, sjplimp@sandia.gov, Michael Gallis, magalli@sandia.gov diff --git a/src/KOKKOS/pair_buck_coul_cut_kokkos.h b/src/KOKKOS/pair_buck_coul_cut_kokkos.h index 683cb37310..fd4594bdfb 100644 --- a/src/KOKKOS/pair_buck_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_cut_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_buck_coul_long_kokkos.h b/src/KOKKOS/pair_buck_coul_long_kokkos.h index c383a64081..1511035472 100644 --- a/src/KOKKOS/pair_buck_coul_long_kokkos.h +++ b/src/KOKKOS/pair_buck_coul_long_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_buck_kokkos.h b/src/KOKKOS/pair_buck_kokkos.h index 8bd8fc9ffe..370079973f 100644 --- a/src/KOKKOS/pair_buck_kokkos.h +++ b/src/KOKKOS/pair_buck_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_coul_cut_kokkos.h b/src/KOKKOS/pair_coul_cut_kokkos.h index 6fb5334cb4..947a133c7c 100644 --- a/src/KOKKOS/pair_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_coul_cut_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_coul_debye_kokkos.h b/src/KOKKOS/pair_coul_debye_kokkos.h index b5dc2eaed4..c594ffe655 100644 --- a/src/KOKKOS/pair_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_coul_debye_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_coul_dsf_kokkos.h b/src/KOKKOS/pair_coul_dsf_kokkos.h index 49b1806e3c..f42b99aa44 100644 --- a/src/KOKKOS/pair_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_coul_dsf_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_coul_long_kokkos.h b/src/KOKKOS/pair_coul_long_kokkos.h index 11847bc25c..358c4eed2e 100644 --- a/src/KOKKOS/pair_coul_long_kokkos.h +++ b/src/KOKKOS/pair_coul_long_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_coul_wolf_kokkos.h b/src/KOKKOS/pair_coul_wolf_kokkos.h index f6da745de3..0c06908eed 100644 --- a/src/KOKKOS/pair_coul_wolf_kokkos.h +++ b/src/KOKKOS/pair_coul_wolf_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h index 250a318568..778c117d81 100644 --- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h +++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.h b/src/KOKKOS/pair_eam_alloy_kokkos.h index 71a30ec2b9..c0d4ffbc18 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.h +++ b/src/KOKKOS/pair_eam_alloy_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_eam_fs_kokkos.h b/src/KOKKOS/pair_eam_fs_kokkos.h index b216138c8b..ca0e64aa54 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.h +++ b/src/KOKKOS/pair_eam_fs_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_eam_kokkos.h b/src/KOKKOS/pair_eam_kokkos.h index 982b248af1..e4cc3f28ae 100644 --- a/src/KOKKOS/pair_eam_kokkos.h +++ b/src/KOKKOS/pair_eam_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_exp6_rx_kokkos.h b/src/KOKKOS/pair_exp6_rx_kokkos.h index 406353dd7c..640ea360db 100644 --- a/src/KOKKOS/pair_exp6_rx_kokkos.h +++ b/src/KOKKOS/pair_exp6_rx_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_gran_hooke_history_kokkos.h b/src/KOKKOS/pair_gran_hooke_history_kokkos.h index e40353d970..96997f45aa 100644 --- a/src/KOKKOS/pair_gran_hooke_history_kokkos.h +++ b/src/KOKKOS/pair_gran_hooke_history_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_hybrid_kokkos.h b/src/KOKKOS/pair_hybrid_kokkos.h index 799354cf01..618a3e76f2 100644 --- a/src/KOKKOS/pair_hybrid_kokkos.h +++ b/src/KOKKOS/pair_hybrid_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_hybrid_overlay_kokkos.h b/src/KOKKOS/pair_hybrid_overlay_kokkos.h index 6bec57c453..c61c15fe52 100644 --- a/src/KOKKOS/pair_hybrid_overlay_kokkos.h +++ b/src/KOKKOS/pair_hybrid_overlay_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_kokkos.h b/src/KOKKOS/pair_kokkos.h index a3b31f54cc..08c33ca04c 100644 --- a/src/KOKKOS/pair_kokkos.h +++ b/src/KOKKOS/pair_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h index 1fb2c7724b..272cc2b491 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_implicit_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h index a7e3a80840..38caf1336e 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h index 6b76b00170..a4517c49d6 100644 --- a/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_charmm_coul_long_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h index 96623a7b24..558719bd00 100644 --- a/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_cut_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h index c5729697ee..392f3e217d 100644 --- a/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_coul_long_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_class2_kokkos.h b/src/KOKKOS/pair_lj_class2_kokkos.h index 4be6c40667..1931b196f3 100644 --- a/src/KOKKOS/pair_lj_class2_kokkos.h +++ b/src/KOKKOS/pair_lj_class2_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h index 6f2de779a6..644d3f164e 100644 --- a/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_cut_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h index bfcf48aa98..1e367a6232 100644 --- a/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_debye_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h index d45591c89e..222d873dba 100644 --- a/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_dsf_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h index 95210e06f7..6d04277851 100644 --- a/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_coul_long_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_cut_kokkos.h b/src/KOKKOS/pair_lj_cut_kokkos.h index 557a28b698..d513bbff6c 100644 --- a/src/KOKKOS/pair_lj_cut_kokkos.h +++ b/src/KOKKOS/pair_lj_cut_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_expand_kokkos.h b/src/KOKKOS/pair_lj_expand_kokkos.h index ef288dcfe3..174711fefc 100644 --- a/src/KOKKOS/pair_lj_expand_kokkos.h +++ b/src/KOKKOS/pair_lj_expand_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h index 88dbf28699..8e29c00bfa 100644 --- a/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_coul_gromacs_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_gromacs_kokkos.h b/src/KOKKOS/pair_lj_gromacs_kokkos.h index 47804ffe0a..89a635df8a 100644 --- a/src/KOKKOS/pair_lj_gromacs_kokkos.h +++ b/src/KOKKOS/pair_lj_gromacs_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_lj_sdk_kokkos.h b/src/KOKKOS/pair_lj_sdk_kokkos.h index 470bda1f9f..7fe8ff18a3 100644 --- a/src/KOKKOS/pair_lj_sdk_kokkos.h +++ b/src/KOKKOS/pair_lj_sdk_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_morse_kokkos.h b/src/KOKKOS/pair_morse_kokkos.h index d747cc9e1e..e0205554ed 100644 --- a/src/KOKKOS/pair_morse_kokkos.h +++ b/src/KOKKOS/pair_morse_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.h b/src/KOKKOS/pair_multi_lucy_rx_kokkos.h index aee1763b06..a112a79ff9 100644 --- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.h +++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_reaxc_kokkos.h b/src/KOKKOS/pair_reaxc_kokkos.h index d54f275d6f..5f4ae68c42 100644 --- a/src/KOKKOS/pair_reaxc_kokkos.h +++ b/src/KOKKOS/pair_reaxc_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_snap_kokkos.h b/src/KOKKOS/pair_snap_kokkos.h index b7208a577c..b0ed7d4703 100644 --- a/src/KOKKOS/pair_snap_kokkos.h +++ b/src/KOKKOS/pair_snap_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index f624131377..379140288f 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_sw_kokkos.h b/src/KOKKOS/pair_sw_kokkos.h index b9f4559bc2..755c2ce0e4 100644 --- a/src/KOKKOS/pair_sw_kokkos.h +++ b/src/KOKKOS/pair_sw_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_table_kokkos.h b/src/KOKKOS/pair_table_kokkos.h index ed4e73b095..b065d015bb 100644 --- a/src/KOKKOS/pair_table_kokkos.h +++ b/src/KOKKOS/pair_table_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_table_rx_kokkos.h b/src/KOKKOS/pair_table_rx_kokkos.h index 7aba307476..d05a7c582b 100644 --- a/src/KOKKOS/pair_table_rx_kokkos.h +++ b/src/KOKKOS/pair_table_rx_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_tersoff_kokkos.h b/src/KOKKOS/pair_tersoff_kokkos.h index dbc6dc7901..5f5d537ae7 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.h +++ b/src/KOKKOS/pair_tersoff_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.h b/src/KOKKOS/pair_tersoff_mod_kokkos.h index f6a03e1908..cdb1b578d5 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.h +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.h b/src/KOKKOS/pair_tersoff_zbl_kokkos.h index f82a69cc29..ed71aa5ec4 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.h +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_vashishta_kokkos.h b/src/KOKKOS/pair_vashishta_kokkos.h index aa8543e751..6bdd4b4fa1 100644 --- a/src/KOKKOS/pair_vashishta_kokkos.h +++ b/src/KOKKOS/pair_vashishta_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_yukawa_kokkos.h b/src/KOKKOS/pair_yukawa_kokkos.h index a78f9d5f7c..11143248e1 100644 --- a/src/KOKKOS/pair_yukawa_kokkos.h +++ b/src/KOKKOS/pair_yukawa_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pair_zbl_kokkos.h b/src/KOKKOS/pair_zbl_kokkos.h index e5332af4a9..6109eceba4 100644 --- a/src/KOKKOS/pair_zbl_kokkos.h +++ b/src/KOKKOS/pair_zbl_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/pppm_kokkos.h b/src/KOKKOS/pppm_kokkos.h index b2c7dbe852..2369bcc1a0 100644 --- a/src/KOKKOS/pppm_kokkos.h +++ b/src/KOKKOS/pppm_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/rand_pool_wrap_kokkos.h b/src/KOKKOS/rand_pool_wrap_kokkos.h index 8ae90011ab..fd7f773ca6 100644 --- a/src/KOKKOS/rand_pool_wrap_kokkos.h +++ b/src/KOKKOS/rand_pool_wrap_kokkos.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/region_block_kokkos.h b/src/KOKKOS/region_block_kokkos.h index 532bc588e2..2d11770470 100644 --- a/src/KOKKOS/region_block_kokkos.h +++ b/src/KOKKOS/region_block_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/remap_kokkos.h b/src/KOKKOS/remap_kokkos.h index d6e4ab828e..c77301503f 100644 --- a/src/KOKKOS/remap_kokkos.h +++ b/src/KOKKOS/remap_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/sna_kokkos.h b/src/KOKKOS/sna_kokkos.h index 33ef37ca98..72baa32c7c 100644 --- a/src/KOKKOS/sna_kokkos.h +++ b/src/KOKKOS/sna_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/sna_kokkos_impl.h b/src/KOKKOS/sna_kokkos_impl.h index 2b55f97c30..db710780ba 100644 --- a/src/KOKKOS/sna_kokkos_impl.h +++ b/src/KOKKOS/sna_kokkos_impl.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KOKKOS/verlet_kokkos.h b/src/KOKKOS/verlet_kokkos.h index 1e36b1cf6e..ba5ee3464f 100644 --- a/src/KOKKOS/verlet_kokkos.h +++ b/src/KOKKOS/verlet_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index ef7ff05675..81f6eb3237 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/ewald_dipole.h b/src/KSPACE/ewald_dipole.h index c8dd18565c..105f1b7e3f 100644 --- a/src/KSPACE/ewald_dipole.h +++ b/src/KSPACE/ewald_dipole.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/ewald_dipole_spin.h b/src/KSPACE/ewald_dipole_spin.h index 32c7ddb5f1..13f9e79ae9 100644 --- a/src/KSPACE/ewald_dipole_spin.h +++ b/src/KSPACE/ewald_dipole_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/ewald_disp.h b/src/KSPACE/ewald_disp.h index ab880fd359..9bd7d1960b 100644 --- a/src/KSPACE/ewald_disp.h +++ b/src/KSPACE/ewald_disp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/fft3d.h b/src/KSPACE/fft3d.h index 4b5f36716f..478cbb05e5 100644 --- a/src/KSPACE/fft3d.h +++ b/src/KSPACE/fft3d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/fft3d_wrap.h b/src/KSPACE/fft3d_wrap.h index 2809b0cd7e..6deb9baf03 100644 --- a/src/KSPACE/fft3d_wrap.h +++ b/src/KSPACE/fft3d_wrap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h index 3e4db40344..1cd663c8cc 100644 --- a/src/KSPACE/fix_tune_kspace.h +++ b/src/KSPACE/fix_tune_kspace.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/gridcomm.h b/src/KSPACE/gridcomm.h index 97c914999f..4cadfdbf29 100644 --- a/src/KSPACE/gridcomm.h +++ b/src/KSPACE/gridcomm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/kissfft.h b/src/KSPACE/kissfft.h index 119dc17f66..8cb6dec820 100644 --- a/src/KSPACE/kissfft.h +++ b/src/KSPACE/kissfft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/KSPACE/msm.h b/src/KSPACE/msm.h index a239e6f139..be28f19267 100644 --- a/src/KSPACE/msm.h +++ b/src/KSPACE/msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/msm_cg.h b/src/KSPACE/msm_cg.h index 7a27e3b83a..b6c1a46b5f 100644 --- a/src/KSPACE/msm_cg.h +++ b/src/KSPACE/msm_cg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_born_coul_long.h b/src/KSPACE/pair_born_coul_long.h index d9a9b8b085..2f7e31112b 100644 --- a/src/KSPACE/pair_born_coul_long.h +++ b/src/KSPACE/pair_born_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_born_coul_msm.h b/src/KSPACE/pair_born_coul_msm.h index 477d2152e6..3435044dd2 100644 --- a/src/KSPACE/pair_born_coul_msm.h +++ b/src/KSPACE/pair_born_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_buck_coul_long.h b/src/KSPACE/pair_buck_coul_long.h index c19c2d8a5a..22726cc4e1 100644 --- a/src/KSPACE/pair_buck_coul_long.h +++ b/src/KSPACE/pair_buck_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_buck_coul_msm.h b/src/KSPACE/pair_buck_coul_msm.h index a6b4e878bf..e6147df108 100644 --- a/src/KSPACE/pair_buck_coul_msm.h +++ b/src/KSPACE/pair_buck_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_buck_long_coul_long.h b/src/KSPACE/pair_buck_long_coul_long.h index 760ed5404a..6f4128f379 100644 --- a/src/KSPACE/pair_buck_long_coul_long.h +++ b/src/KSPACE/pair_buck_long_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_coul_long.h b/src/KSPACE/pair_coul_long.h index a231127381..0864a45f29 100644 --- a/src/KSPACE/pair_coul_long.h +++ b/src/KSPACE/pair_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_coul_msm.h b/src/KSPACE/pair_coul_msm.h index ed7b6864fd..575dd1ae14 100644 --- a/src/KSPACE/pair_coul_msm.h +++ b/src/KSPACE/pair_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_charmm_coul_long.h b/src/KSPACE/pair_lj_charmm_coul_long.h index 95c6d0d1c7..b232c46546 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.h +++ b/src/KSPACE/pair_lj_charmm_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_charmm_coul_msm.h b/src/KSPACE/pair_lj_charmm_coul_msm.h index cda0fe2695..711d22687b 100644 --- a/src/KSPACE/pair_lj_charmm_coul_msm.h +++ b/src/KSPACE/pair_lj_charmm_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.h b/src/KSPACE/pair_lj_charmmfsw_coul_long.h index b05c25790b..d541372ce2 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.h +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_cut_coul_long.h b/src/KSPACE/pair_lj_cut_coul_long.h index e6f97c088d..2154382811 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.h +++ b/src/KSPACE/pair_lj_cut_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_cut_coul_msm.h b/src/KSPACE/pair_lj_cut_coul_msm.h index 75742d083d..aabb5dd120 100644 --- a/src/KSPACE/pair_lj_cut_coul_msm.h +++ b/src/KSPACE/pair_lj_cut_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.h b/src/KSPACE/pair_lj_cut_tip4p_long.h index 42e40e041a..e5667a9a1d 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.h +++ b/src/KSPACE/pair_lj_cut_tip4p_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_long_coul_long.h b/src/KSPACE/pair_lj_long_coul_long.h index 3153fcb8a8..b3c780be37 100644 --- a/src/KSPACE/pair_lj_long_coul_long.h +++ b/src/KSPACE/pair_lj_long_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_lj_long_tip4p_long.h b/src/KSPACE/pair_lj_long_tip4p_long.h index ef86e4ed80..7499fcb8b9 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.h +++ b/src/KSPACE/pair_lj_long_tip4p_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pair_tip4p_long.h b/src/KSPACE/pair_tip4p_long.h index d55859a1cb..bc52cd9456 100644 --- a/src/KSPACE/pair_tip4p_long.h +++ b/src/KSPACE/pair_tip4p_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index 7451af47b4..af105f129d 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_cg.h b/src/KSPACE/pppm_cg.h index 8b5e26deca..6c7425b893 100644 --- a/src/KSPACE/pppm_cg.h +++ b/src/KSPACE/pppm_cg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_dipole.h b/src/KSPACE/pppm_dipole.h index eb49361842..93326262fe 100644 --- a/src/KSPACE/pppm_dipole.h +++ b/src/KSPACE/pppm_dipole.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_dipole_spin.h b/src/KSPACE/pppm_dipole_spin.h index e50b342b19..2998278863 100644 --- a/src/KSPACE/pppm_dipole_spin.h +++ b/src/KSPACE/pppm_dipole_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_disp.h b/src/KSPACE/pppm_disp.h index c250301d6e..3c952cb54d 100644 --- a/src/KSPACE/pppm_disp.h +++ b/src/KSPACE/pppm_disp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_disp_tip4p.h b/src/KSPACE/pppm_disp_tip4p.h index 596be5f60b..1f6a92a4bf 100644 --- a/src/KSPACE/pppm_disp_tip4p.h +++ b/src/KSPACE/pppm_disp_tip4p.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_stagger.h b/src/KSPACE/pppm_stagger.h index 2f4cf9fb9b..02f182fa68 100644 --- a/src/KSPACE/pppm_stagger.h +++ b/src/KSPACE/pppm_stagger.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/pppm_tip4p.h b/src/KSPACE/pppm_tip4p.h index 440bc46fa6..aba660253f 100644 --- a/src/KSPACE/pppm_tip4p.h +++ b/src/KSPACE/pppm_tip4p.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/remap.h b/src/KSPACE/remap.h index 90a327bb66..0d5a01e39a 100644 --- a/src/KSPACE/remap.h +++ b/src/KSPACE/remap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/KSPACE/remap_wrap.h b/src/KSPACE/remap_wrap.h index 38b2ad5ad2..f2e69e995f 100644 --- a/src/KSPACE/remap_wrap.h +++ b/src/KSPACE/remap_wrap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/LATTE/fix_latte.h b/src/LATTE/fix_latte.h index 6d30ced0a0..aba6f81ff6 100644 --- a/src/LATTE/fix_latte.h +++ b/src/LATTE/fix_latte.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/fix_qeq_comb.h b/src/MANYBODY/fix_qeq_comb.h index c3a0ac08f3..01163b7f90 100644 --- a/src/MANYBODY/fix_qeq_comb.h +++ b/src/MANYBODY/fix_qeq_comb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_adp.h b/src/MANYBODY/pair_adp.h index 6a292dda14..b7a26affbf 100644 --- a/src/MANYBODY/pair_adp.h +++ b/src/MANYBODY/pair_adp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index 7539cc5e7f..068f1afecf 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_airebo_morse.h b/src/MANYBODY/pair_airebo_morse.h index c87cf160e1..b835e91d1b 100644 --- a/src/MANYBODY/pair_airebo_morse.h +++ b/src/MANYBODY/pair_airebo_morse.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_atm.h b/src/MANYBODY/pair_atm.h index 8a9d38ec3b..6f7fbc6d3d 100644 --- a/src/MANYBODY/pair_atm.h +++ b/src/MANYBODY/pair_atm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_bop.h b/src/MANYBODY/pair_bop.h index ba75d5c591..0acfb3c31b 100644 --- a/src/MANYBODY/pair_bop.h +++ b/src/MANYBODY/pair_bop.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_comb.h b/src/MANYBODY/pair_comb.h index 51b522badf..4e569dee00 100644 --- a/src/MANYBODY/pair_comb.h +++ b/src/MANYBODY/pair_comb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_comb3.h b/src/MANYBODY/pair_comb3.h index d03ee0e474..19a0ef904a 100644 --- a/src/MANYBODY/pair_comb3.h +++ b/src/MANYBODY/pair_comb3.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index e9cbd15f34..8779042118 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eam_alloy.h b/src/MANYBODY/pair_eam_alloy.h index 1a13af278c..d280a29da1 100644 --- a/src/MANYBODY/pair_eam_alloy.h +++ b/src/MANYBODY/pair_eam_alloy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eam_cd.h b/src/MANYBODY/pair_eam_cd.h index 4d938aad10..49daa78a35 100644 --- a/src/MANYBODY/pair_eam_cd.h +++ b/src/MANYBODY/pair_eam_cd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eam_fs.h b/src/MANYBODY/pair_eam_fs.h index f10ccbab4a..137f25a048 100644 --- a/src/MANYBODY/pair_eam_fs.h +++ b/src/MANYBODY/pair_eam_fs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eam_he.h b/src/MANYBODY/pair_eam_he.h index eccd63857d..d69e0729c8 100644 --- a/src/MANYBODY/pair_eam_he.h +++ b/src/MANYBODY/pair_eam_he.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h index 7611898c45..52b94192c2 100644 --- a/src/MANYBODY/pair_eim.h +++ b/src/MANYBODY/pair_eim.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_gw.h b/src/MANYBODY/pair_gw.h index a1cbdb5c86..68fd366a79 100644 --- a/src/MANYBODY/pair_gw.h +++ b/src/MANYBODY/pair_gw.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_gw_zbl.h b/src/MANYBODY/pair_gw_zbl.h index de344e94f7..0c7c7e13e1 100644 --- a/src/MANYBODY/pair_gw_zbl.h +++ b/src/MANYBODY/pair_gw_zbl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_lcbop.h b/src/MANYBODY/pair_lcbop.h index 4ee89b4148..92ebca1ed8 100644 --- a/src/MANYBODY/pair_lcbop.h +++ b/src/MANYBODY/pair_lcbop.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_nb3b_harmonic.h b/src/MANYBODY/pair_nb3b_harmonic.h index 38ec07c78b..ee32dfcaee 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.h +++ b/src/MANYBODY/pair_nb3b_harmonic.h @@ -1,6 +1,6 @@ -/* --*- c++ -*- --------------------------------------------------------- +/* -*- c++ -*- --------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_polymorphic.h b/src/MANYBODY/pair_polymorphic.h index a8a74267cd..98c4bc86f8 100644 --- a/src/MANYBODY/pair_polymorphic.h +++ b/src/MANYBODY/pair_polymorphic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_rebo.h b/src/MANYBODY/pair_rebo.h index 9c1a12d4de..42d50b47ac 100644 --- a/src/MANYBODY/pair_rebo.h +++ b/src/MANYBODY/pair_rebo.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_sw.h b/src/MANYBODY/pair_sw.h index 4e13caee85..21f9bb0819 100644 --- a/src/MANYBODY/pair_sw.h +++ b/src/MANYBODY/pair_sw.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h index a4612d03be..16bfcd7d57 100644 --- a/src/MANYBODY/pair_tersoff.h +++ b/src/MANYBODY/pair_tersoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_tersoff_mod.h b/src/MANYBODY/pair_tersoff_mod.h index 82631727cf..8d68e1c9bd 100644 --- a/src/MANYBODY/pair_tersoff_mod.h +++ b/src/MANYBODY/pair_tersoff_mod.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_tersoff_mod_c.h b/src/MANYBODY/pair_tersoff_mod_c.h index 4949cb76db..1491941a2c 100644 --- a/src/MANYBODY/pair_tersoff_mod_c.h +++ b/src/MANYBODY/pair_tersoff_mod_c.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_tersoff_zbl.h b/src/MANYBODY/pair_tersoff_zbl.h index 42483b7d89..b489563928 100644 --- a/src/MANYBODY/pair_tersoff_zbl.h +++ b/src/MANYBODY/pair_tersoff_zbl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_vashishta.h b/src/MANYBODY/pair_vashishta.h index 06c23b2384..468a33b4cc 100644 --- a/src/MANYBODY/pair_vashishta.h +++ b/src/MANYBODY/pair_vashishta.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MANYBODY/pair_vashishta_table.h b/src/MANYBODY/pair_vashishta_table.h index cf3bb19232..dade008fc8 100644 --- a/src/MANYBODY/pair_vashishta_table.h +++ b/src/MANYBODY/pair_vashishta_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_atom_swap.h b/src/MC/fix_atom_swap.h index a5ce89b16b..7c56624ad1 100644 --- a/src/MC/fix_atom_swap.h +++ b/src/MC/fix_atom_swap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_bond_break.h b/src/MC/fix_bond_break.h index ba0e0f63b6..e3bdcb01fa 100644 --- a/src/MC/fix_bond_break.h +++ b/src/MC/fix_bond_break.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_bond_create.h b/src/MC/fix_bond_create.h index 1c80be59df..333e98630e 100644 --- a/src/MC/fix_bond_create.h +++ b/src/MC/fix_bond_create.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_bond_create_angle.h b/src/MC/fix_bond_create_angle.h index 41fe5909f8..320f3225f1 100644 --- a/src/MC/fix_bond_create_angle.h +++ b/src/MC/fix_bond_create_angle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_bond_swap.h b/src/MC/fix_bond_swap.h index d24159d807..ad72ac66aa 100644 --- a/src/MC/fix_bond_swap.h +++ b/src/MC/fix_bond_swap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_charge_regulation.cpp b/src/MC/fix_charge_regulation.cpp index 4e7e5ab5a0..e369ab95e1 100644 --- a/src/MC/fix_charge_regulation.cpp +++ b/src/MC/fix_charge_regulation.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_charge_regulation.h b/src/MC/fix_charge_regulation.h index 3afaffddb7..4f7ae57f96 100644 --- a/src/MC/fix_charge_regulation.h +++ b/src/MC/fix_charge_regulation.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_gcmc.h b/src/MC/fix_gcmc.h index e111642548..99153865f2 100644 --- a/src/MC/fix_gcmc.h +++ b/src/MC/fix_gcmc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_tfmc.h b/src/MC/fix_tfmc.h index d4f121eb90..6b95704612 100644 --- a/src/MC/fix_tfmc.h +++ b/src/MC/fix_tfmc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/fix_widom.h b/src/MC/fix_widom.h index 19102e4f4a..c12be4ad75 100644 --- a/src/MC/fix_widom.h +++ b/src/MC/fix_widom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MC/pair_dsmc.h b/src/MC/pair_dsmc.h index 1d24a7eeba..784ada286c 100644 --- a/src/MC/pair_dsmc.h +++ b/src/MC/pair_dsmc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MESSAGE/fix_client_md.h b/src/MESSAGE/fix_client_md.h index 1c874c7278..f2e43717a9 100644 --- a/src/MESSAGE/fix_client_md.h +++ b/src/MESSAGE/fix_client_md.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MESSAGE/message.h b/src/MESSAGE/message.h index 88c658e44b..d4099737e6 100644 --- a/src/MESSAGE/message.h +++ b/src/MESSAGE/message.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MESSAGE/server.h b/src/MESSAGE/server.h index 7c93db8c64..dffecaf1c8 100644 --- a/src/MESSAGE/server.h +++ b/src/MESSAGE/server.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MESSAGE/server_mc.h b/src/MESSAGE/server_mc.h index d0fb489429..286a5ab465 100644 --- a/src/MESSAGE/server_mc.h +++ b/src/MESSAGE/server_mc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MESSAGE/server_md.h b/src/MESSAGE/server_md.h index 289d70bdd8..1f15eccbec 100644 --- a/src/MESSAGE/server_md.h +++ b/src/MESSAGE/server_md.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/compute_msd_nongauss.h b/src/MISC/compute_msd_nongauss.h index aa029a7970..8931c50c09 100644 --- a/src/MISC/compute_msd_nongauss.h +++ b/src/MISC/compute_msd_nongauss.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/compute_ti.h b/src/MISC/compute_ti.h index d1557a436e..d82343f4eb 100644 --- a/src/MISC/compute_ti.h +++ b/src/MISC/compute_ti.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/dump_xtc.h b/src/MISC/dump_xtc.h index e242e7eef0..5ec9cee342 100644 --- a/src/MISC/dump_xtc.h +++ b/src/MISC/dump_xtc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_deposit.h b/src/MISC/fix_deposit.h index 12543fc2f3..9bb66930a1 100644 --- a/src/MISC/fix_deposit.h +++ b/src/MISC/fix_deposit.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_efield.h b/src/MISC/fix_efield.h index 4a360b6464..d18629bdbc 100644 --- a/src/MISC/fix_efield.h +++ b/src/MISC/fix_efield.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_evaporate.h b/src/MISC/fix_evaporate.h index d26e8dba84..d09875b5bd 100644 --- a/src/MISC/fix_evaporate.h +++ b/src/MISC/fix_evaporate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_gld.h b/src/MISC/fix_gld.h index abb3286544..d8fa7408a4 100644 --- a/src/MISC/fix_gld.h +++ b/src/MISC/fix_gld.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_oneway.h b/src/MISC/fix_oneway.h index 75dcabda64..aeb0e9532f 100644 --- a/src/MISC/fix_oneway.h +++ b/src/MISC/fix_oneway.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_orient_bcc.h b/src/MISC/fix_orient_bcc.h index 2035e85b15..ea6ee7a7a7 100644 --- a/src/MISC/fix_orient_bcc.h +++ b/src/MISC/fix_orient_bcc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_orient_fcc.h b/src/MISC/fix_orient_fcc.h index 8bdc098289..4819cd09c0 100644 --- a/src/MISC/fix_orient_fcc.h +++ b/src/MISC/fix_orient_fcc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_thermal_conductivity.h b/src/MISC/fix_thermal_conductivity.h index fa49a10bdf..0c59f29bd6 100644 --- a/src/MISC/fix_thermal_conductivity.h +++ b/src/MISC/fix_thermal_conductivity.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_ttm.h b/src/MISC/fix_ttm.h index 76631dbf57..ddcebfe46a 100644 --- a/src/MISC/fix_ttm.h +++ b/src/MISC/fix_ttm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/fix_viscosity.h b/src/MISC/fix_viscosity.h index 547febfa60..519658a27f 100644 --- a/src/MISC/fix_viscosity.h +++ b/src/MISC/fix_viscosity.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/pair_nm_cut.h b/src/MISC/pair_nm_cut.h index 692c8559d7..83a0846321 100644 --- a/src/MISC/pair_nm_cut.h +++ b/src/MISC/pair_nm_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/pair_nm_cut_coul_cut.h b/src/MISC/pair_nm_cut_coul_cut.h index cefeb58ba9..0586f0a16f 100644 --- a/src/MISC/pair_nm_cut_coul_cut.h +++ b/src/MISC/pair_nm_cut_coul_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MISC/pair_nm_cut_coul_long.h b/src/MISC/pair_nm_cut_coul_long.h index 362474cffd..4a8e49e2b6 100644 --- a/src/MISC/pair_nm_cut_coul_long.h +++ b/src/MISC/pair_nm_cut_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/compute_mliap.h b/src/MLIAP/compute_mliap.h index 1172111247..01255fff6d 100644 --- a/src/MLIAP/compute_mliap.h +++ b/src/MLIAP/compute_mliap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_data.h b/src/MLIAP/mliap_data.h index a9ada7ebd7..bfefa53af0 100644 --- a/src/MLIAP/mliap_data.h +++ b/src/MLIAP/mliap_data.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_descriptor.h b/src/MLIAP/mliap_descriptor.h index 44fe2f21ad..7f162d6ee4 100644 --- a/src/MLIAP/mliap_descriptor.h +++ b/src/MLIAP/mliap_descriptor.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_descriptor_snap.h b/src/MLIAP/mliap_descriptor_snap.h index 40630e5131..09cb56f445 100644 --- a/src/MLIAP/mliap_descriptor_snap.h +++ b/src/MLIAP/mliap_descriptor_snap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model.h b/src/MLIAP/mliap_model.h index 96cfff0a3d..98bae35d2f 100644 --- a/src/MLIAP/mliap_model.h +++ b/src/MLIAP/mliap_model.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model_linear.h b/src/MLIAP/mliap_model_linear.h index 89c69d3537..1603f0cb53 100644 --- a/src/MLIAP/mliap_model_linear.h +++ b/src/MLIAP/mliap_model_linear.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model_nn.h b/src/MLIAP/mliap_model_nn.h index abdb9dec0f..0f04b09f9a 100644 --- a/src/MLIAP/mliap_model_nn.h +++ b/src/MLIAP/mliap_model_nn.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model_python.cpp b/src/MLIAP/mliap_model_python.cpp index 4dda7df357..6f88c41bce 100644 --- a/src/MLIAP/mliap_model_python.cpp +++ b/src/MLIAP/mliap_model_python.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model_python.h b/src/MLIAP/mliap_model_python.h index 57110f36e2..f776b9a795 100644 --- a/src/MLIAP/mliap_model_python.h +++ b/src/MLIAP/mliap_model_python.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/mliap_model_quadratic.h b/src/MLIAP/mliap_model_quadratic.h index 28f1732f9b..eabb8acfbe 100644 --- a/src/MLIAP/mliap_model_quadratic.h +++ b/src/MLIAP/mliap_model_quadratic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MLIAP/pair_mliap.h b/src/MLIAP/pair_mliap.h index c31634e923..d8fb82c8b7 100644 --- a/src/MLIAP/pair_mliap.h +++ b/src/MLIAP/pair_mliap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_charmm.h b/src/MOLECULE/angle_charmm.h index 444c833d37..28ed51e8ce 100644 --- a/src/MOLECULE/angle_charmm.h +++ b/src/MOLECULE/angle_charmm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_cosine.h b/src/MOLECULE/angle_cosine.h index ca1f4178f8..915acab85e 100644 --- a/src/MOLECULE/angle_cosine.h +++ b/src/MOLECULE/angle_cosine.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_cosine_delta.h b/src/MOLECULE/angle_cosine_delta.h index 70b574b234..28a14149f6 100644 --- a/src/MOLECULE/angle_cosine_delta.h +++ b/src/MOLECULE/angle_cosine_delta.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_cosine_periodic.h b/src/MOLECULE/angle_cosine_periodic.h index f0188b6c17..2f25245dbe 100644 --- a/src/MOLECULE/angle_cosine_periodic.h +++ b/src/MOLECULE/angle_cosine_periodic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_cosine_squared.h b/src/MOLECULE/angle_cosine_squared.h index a19a923850..d4539a3b23 100644 --- a/src/MOLECULE/angle_cosine_squared.h +++ b/src/MOLECULE/angle_cosine_squared.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_harmonic.h b/src/MOLECULE/angle_harmonic.h index f371178d58..109da340c7 100644 --- a/src/MOLECULE/angle_harmonic.h +++ b/src/MOLECULE/angle_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/angle_table.h b/src/MOLECULE/angle_table.h index 8c854dc2e6..bbfa6d38b7 100644 --- a/src/MOLECULE/angle_table.h +++ b/src/MOLECULE/angle_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/atom_vec_angle.h b/src/MOLECULE/atom_vec_angle.h index 0ce0b4baab..6bff95af40 100644 --- a/src/MOLECULE/atom_vec_angle.h +++ b/src/MOLECULE/atom_vec_angle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/atom_vec_bond.h b/src/MOLECULE/atom_vec_bond.h index 403167ac11..ba32265374 100644 --- a/src/MOLECULE/atom_vec_bond.h +++ b/src/MOLECULE/atom_vec_bond.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/atom_vec_full.h b/src/MOLECULE/atom_vec_full.h index 1abd3351d3..569ea4e11d 100644 --- a/src/MOLECULE/atom_vec_full.h +++ b/src/MOLECULE/atom_vec_full.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/atom_vec_molecular.h b/src/MOLECULE/atom_vec_molecular.h index bcfa13d9d3..9203e5d040 100644 --- a/src/MOLECULE/atom_vec_molecular.h +++ b/src/MOLECULE/atom_vec_molecular.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/atom_vec_template.h b/src/MOLECULE/atom_vec_template.h index 99acf5d855..efc178ad5a 100644 --- a/src/MOLECULE/atom_vec_template.h +++ b/src/MOLECULE/atom_vec_template.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index 78ce169870..915b5cf23b 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h index 8cfc17dc68..b2f62d49fc 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_gromos.h b/src/MOLECULE/bond_gromos.h index 95ecf8db10..54cfb19a92 100644 --- a/src/MOLECULE/bond_gromos.h +++ b/src/MOLECULE/bond_gromos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_harmonic.h b/src/MOLECULE/bond_harmonic.h index 39b4f68af5..b335e23a97 100644 --- a/src/MOLECULE/bond_harmonic.h +++ b/src/MOLECULE/bond_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_morse.h b/src/MOLECULE/bond_morse.h index 6d7ec8f8aa..6110eda171 100644 --- a/src/MOLECULE/bond_morse.h +++ b/src/MOLECULE/bond_morse.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_nonlinear.h b/src/MOLECULE/bond_nonlinear.h index 29191698d3..8624e9bb14 100644 --- a/src/MOLECULE/bond_nonlinear.h +++ b/src/MOLECULE/bond_nonlinear.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_quartic.h b/src/MOLECULE/bond_quartic.h index 60ccf307b9..0642b5e8d4 100644 --- a/src/MOLECULE/bond_quartic.h +++ b/src/MOLECULE/bond_quartic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/bond_table.h b/src/MOLECULE/bond_table.h index b08059415b..3c95069ee2 100644 --- a/src/MOLECULE/bond_table.h +++ b/src/MOLECULE/bond_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 4be3925dad..54ff666e0b 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_charmmfsw.h b/src/MOLECULE/dihedral_charmmfsw.h index b33250004b..89a0539a1d 100644 --- a/src/MOLECULE/dihedral_charmmfsw.h +++ b/src/MOLECULE/dihedral_charmmfsw.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h index 6792d16a20..d1fe038c5e 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h index 0213c59e8a..f8981dd34a 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h index bb3d7183f7..92e4d24723 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h index 01878173cd..c6f6ad7ad0 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/fix_cmap.h b/src/MOLECULE/fix_cmap.h index cd0c01a921..d1dd3afbf2 100644 --- a/src/MOLECULE/fix_cmap.h +++ b/src/MOLECULE/fix_cmap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h index 055d2ca9b8..8edbe5144d 100644 --- a/src/MOLECULE/improper_cvff.h +++ b/src/MOLECULE/improper_cvff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index 5949c6911e..86b8bf34f6 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h index da9d6c8f4b..7a89fc5331 100644 --- a/src/MOLECULE/improper_umbrella.h +++ b/src/MOLECULE/improper_umbrella.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.h b/src/MOLECULE/pair_hbond_dreiding_lj.h index 1f33e178c1..5cd745e6ae 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.h +++ b/src/MOLECULE/pair_hbond_dreiding_lj.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.h b/src/MOLECULE/pair_hbond_dreiding_morse.h index 77d0d43c86..dc4b9b8614 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.h +++ b/src/MOLECULE/pair_hbond_dreiding_morse.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.h b/src/MOLECULE/pair_lj_charmm_coul_charmm.h index 1c4ef00fc5..9a1e3cb1ea 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h index 7f0ab9d26e..ead7792c4f 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h index 95272cd944..82dbd44e9e 100644 --- a/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h +++ b/src/MOLECULE/pair_lj_charmmfsw_coul_charmmfsh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.h b/src/MOLECULE/pair_lj_cut_tip4p_cut.h index b69781b160..4852275030 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.h +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MOLECULE/pair_tip4p_cut.h b/src/MOLECULE/pair_tip4p_cut.h index ea801db685..d0ff796d39 100644 --- a/src/MOLECULE/pair_tip4p_cut.h +++ b/src/MOLECULE/pair_tip4p_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MPIIO/dump_atom_mpiio.h b/src/MPIIO/dump_atom_mpiio.h index 36b43e3f08..3486f20f53 100644 --- a/src/MPIIO/dump_atom_mpiio.h +++ b/src/MPIIO/dump_atom_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MPIIO/dump_cfg_mpiio.h b/src/MPIIO/dump_cfg_mpiio.h index eec078e502..d0855f55fb 100644 --- a/src/MPIIO/dump_cfg_mpiio.h +++ b/src/MPIIO/dump_cfg_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MPIIO/dump_custom_mpiio.h b/src/MPIIO/dump_custom_mpiio.h index 334b1377a5..8be38364b3 100644 --- a/src/MPIIO/dump_custom_mpiio.h +++ b/src/MPIIO/dump_custom_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MPIIO/dump_xyz_mpiio.h b/src/MPIIO/dump_xyz_mpiio.h index 484d2a53db..b2fde6306a 100644 --- a/src/MPIIO/dump_xyz_mpiio.h +++ b/src/MPIIO/dump_xyz_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- --------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MPIIO/restart_mpiio.h b/src/MPIIO/restart_mpiio.h index 4cc7558d46..f3594573be 100644 --- a/src/MPIIO/restart_mpiio.h +++ b/src/MPIIO/restart_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/MSCG/fix_mscg.h b/src/MSCG/fix_mscg.h index bcc087f0dc..520a6b1ac3 100644 --- a/src/MSCG/fix_mscg.h +++ b/src/MSCG/fix_mscg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_eam_alloy_opt.h b/src/OPT/pair_eam_alloy_opt.h index 3fdfc449e9..6c56ca76dd 100644 --- a/src/OPT/pair_eam_alloy_opt.h +++ b/src/OPT/pair_eam_alloy_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_eam_fs_opt.h b/src/OPT/pair_eam_fs_opt.h index f0288d5c57..63f0ea8499 100644 --- a/src/OPT/pair_eam_fs_opt.h +++ b/src/OPT/pair_eam_fs_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_eam_opt.h b/src/OPT/pair_eam_opt.h index b9bc6a5a34..6805e2a1cb 100644 --- a/src/OPT/pair_eam_opt.h +++ b/src/OPT/pair_eam_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.h b/src/OPT/pair_lj_charmm_coul_long_opt.h index 39477fae99..3f1bf44a8f 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.h +++ b/src/OPT/pair_lj_charmm_coul_long_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_lj_cut_coul_long_opt.h b/src/OPT/pair_lj_cut_coul_long_opt.h index 435d27ff2f..b136dcb34d 100644 --- a/src/OPT/pair_lj_cut_coul_long_opt.h +++ b/src/OPT/pair_lj_cut_coul_long_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_lj_cut_opt.h b/src/OPT/pair_lj_cut_opt.h index 4c145ab711..60afee870e 100644 --- a/src/OPT/pair_lj_cut_opt.h +++ b/src/OPT/pair_lj_cut_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_lj_cut_tip4p_long_opt.h b/src/OPT/pair_lj_cut_tip4p_long_opt.h index 8aa3955c2b..79c1d1e001 100644 --- a/src/OPT/pair_lj_cut_tip4p_long_opt.h +++ b/src/OPT/pair_lj_cut_tip4p_long_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_lj_long_coul_long_opt.h b/src/OPT/pair_lj_long_coul_long_opt.h index 0bed57cac2..39a8dabbfd 100644 --- a/src/OPT/pair_lj_long_coul_long_opt.h +++ b/src/OPT/pair_lj_long_coul_long_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_morse_opt.h b/src/OPT/pair_morse_opt.h index 1415f6b789..bb870d6e6e 100644 --- a/src/OPT/pair_morse_opt.h +++ b/src/OPT/pair_morse_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/OPT/pair_ufm_opt.h b/src/OPT/pair_ufm_opt.h index edac708403..6df271edad 100644 --- a/src/OPT/pair_ufm_opt.h +++ b/src/OPT/pair_ufm_opt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h index 5739ea55c1..66ef2d4230 100644 --- a/src/PERI/atom_vec_peri.h +++ b/src/PERI/atom_vec_peri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/compute_damage_atom.h b/src/PERI/compute_damage_atom.h index ae3886bc6c..ea0c4fd993 100644 --- a/src/PERI/compute_damage_atom.h +++ b/src/PERI/compute_damage_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/compute_dilatation_atom.h b/src/PERI/compute_dilatation_atom.h index a247cc9291..ead6a68189 100644 --- a/src/PERI/compute_dilatation_atom.h +++ b/src/PERI/compute_dilatation_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/compute_plasticity_atom.h b/src/PERI/compute_plasticity_atom.h index ccd6ef1e63..0022bf2215 100644 --- a/src/PERI/compute_plasticity_atom.h +++ b/src/PERI/compute_plasticity_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/fix_peri_neigh.h b/src/PERI/fix_peri_neigh.h index 247ceaaa43..b72d666390 100644 --- a/src/PERI/fix_peri_neigh.h +++ b/src/PERI/fix_peri_neigh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/pair_peri_eps.h b/src/PERI/pair_peri_eps.h index c5d2cd2976..39e0a6c034 100644 --- a/src/PERI/pair_peri_eps.h +++ b/src/PERI/pair_peri_eps.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/pair_peri_lps.h b/src/PERI/pair_peri_lps.h index caaac05185..0cdaa93656 100644 --- a/src/PERI/pair_peri_lps.h +++ b/src/PERI/pair_peri_lps.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index 25e7a8e83f..543d87424e 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PERI/pair_peri_ves.h b/src/PERI/pair_peri_ves.h index 8aae426510..8e52027055 100644 --- a/src/PERI/pair_peri_ves.h +++ b/src/PERI/pair_peri_ves.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PLUGIN/plugin.h b/src/PLUGIN/plugin.h index 4b4bca9878..bc1d473c90 100644 --- a/src/PLUGIN/plugin.h +++ b/src/PLUGIN/plugin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/POEMS/fix_poems.h b/src/POEMS/fix_poems.h index 7c81889639..30f6c775d7 100644 --- a/src/POEMS/fix_poems.h +++ b/src/POEMS/fix_poems.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/fix_python_invoke.h b/src/PYTHON/fix_python_invoke.h index 48fb0b404f..63cdaea8de 100644 --- a/src/PYTHON/fix_python_invoke.h +++ b/src/PYTHON/fix_python_invoke.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/fix_python_move.h b/src/PYTHON/fix_python_move.h index 2220709970..e1257e8fe5 100644 --- a/src/PYTHON/fix_python_move.h +++ b/src/PYTHON/fix_python_move.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/pair_python.h b/src/PYTHON/pair_python.h index 881bfe2835..1ca290f4a1 100644 --- a/src/PYTHON/pair_python.h +++ b/src/PYTHON/pair_python.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/python_compat.h b/src/PYTHON/python_compat.h index 97946349b2..9263cd3e95 100644 --- a/src/PYTHON/python_compat.h +++ b/src/PYTHON/python_compat.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/python_impl.h b/src/PYTHON/python_impl.h index f53694a00b..c031eb236c 100644 --- a/src/PYTHON/python_impl.h +++ b/src/PYTHON/python_impl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/PYTHON/python_utils.h b/src/PYTHON/python_utils.h index 82422916ff..45dd58456c 100644 --- a/src/PYTHON/python_utils.h +++ b/src/PYTHON/python_utils.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq.h b/src/QEQ/fix_qeq.h index 9a3087840b..1ec9df5932 100644 --- a/src/QEQ/fix_qeq.h +++ b/src/QEQ/fix_qeq.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq_dynamic.h b/src/QEQ/fix_qeq_dynamic.h index dc885a6b1f..36bd448065 100644 --- a/src/QEQ/fix_qeq_dynamic.h +++ b/src/QEQ/fix_qeq_dynamic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq_fire.h b/src/QEQ/fix_qeq_fire.h index 9fd81176e8..26663e5a45 100644 --- a/src/QEQ/fix_qeq_fire.h +++ b/src/QEQ/fix_qeq_fire.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq_point.h b/src/QEQ/fix_qeq_point.h index eae9603bf5..323a2ba489 100644 --- a/src/QEQ/fix_qeq_point.h +++ b/src/QEQ/fix_qeq_point.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq_shielded.h b/src/QEQ/fix_qeq_shielded.h index dfdea2b719..a9524fa382 100644 --- a/src/QEQ/fix_qeq_shielded.h +++ b/src/QEQ/fix_qeq_shielded.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/QEQ/fix_qeq_slater.h b/src/QEQ/fix_qeq_slater.h index bf1a98a6d5..9e9a9bbd67 100644 --- a/src/QEQ/fix_qeq_slater.h +++ b/src/QEQ/fix_qeq_slater.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/compute_event_displace.h b/src/REPLICA/compute_event_displace.h index 481df39b07..269eef438a 100644 --- a/src/REPLICA/compute_event_displace.h +++ b/src/REPLICA/compute_event_displace.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_event.h b/src/REPLICA/fix_event.h index a8f6f93d5f..96a6626477 100644 --- a/src/REPLICA/fix_event.h +++ b/src/REPLICA/fix_event.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_event_hyper.h b/src/REPLICA/fix_event_hyper.h index af685ee539..9a04a30bed 100644 --- a/src/REPLICA/fix_event_hyper.h +++ b/src/REPLICA/fix_event_hyper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_event_prd.h b/src/REPLICA/fix_event_prd.h index 363de31e9d..2f28c62dd4 100644 --- a/src/REPLICA/fix_event_prd.h +++ b/src/REPLICA/fix_event_prd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_event_tad.h b/src/REPLICA/fix_event_tad.h index dcc8a67fe4..e1e976a0ba 100644 --- a/src/REPLICA/fix_event_tad.h +++ b/src/REPLICA/fix_event_tad.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_hyper.h b/src/REPLICA/fix_hyper.h index 74acada4fe..e2ae205649 100644 --- a/src/REPLICA/fix_hyper.h +++ b/src/REPLICA/fix_hyper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_hyper_global.h b/src/REPLICA/fix_hyper_global.h index dd2c807ad3..8f7620ca66 100644 --- a/src/REPLICA/fix_hyper_global.h +++ b/src/REPLICA/fix_hyper_global.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_hyper_local.h b/src/REPLICA/fix_hyper_local.h index aa3f050bb9..4085a82de4 100644 --- a/src/REPLICA/fix_hyper_local.h +++ b/src/REPLICA/fix_hyper_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/fix_neb.h b/src/REPLICA/fix_neb.h index 5324b06432..b686ef6d47 100644 --- a/src/REPLICA/fix_neb.h +++ b/src/REPLICA/fix_neb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/hyper.h b/src/REPLICA/hyper.h index a96ccf3727..a6418c89a0 100644 --- a/src/REPLICA/hyper.h +++ b/src/REPLICA/hyper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h index 8298766ccf..6c4071baa1 100644 --- a/src/REPLICA/neb.h +++ b/src/REPLICA/neb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/prd.h b/src/REPLICA/prd.h index 0d8fde1bfe..c21ec4e319 100644 --- a/src/REPLICA/prd.h +++ b/src/REPLICA/prd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/tad.h b/src/REPLICA/tad.h index 91e570c707..cf2136f0d5 100644 --- a/src/REPLICA/tad.h +++ b/src/REPLICA/tad.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/temper.h b/src/REPLICA/temper.h index 3f7d813f2a..40293de483 100644 --- a/src/REPLICA/temper.h +++ b/src/REPLICA/temper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/REPLICA/verlet_split.h b/src/REPLICA/verlet_split.h index f31ebdfa17..e2c9ac2900 100644 --- a/src/REPLICA/verlet_split.h +++ b/src/REPLICA/verlet_split.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/compute_erotate_rigid.h b/src/RIGID/compute_erotate_rigid.h index a08e8d51a0..fae6cf5a10 100644 --- a/src/RIGID/compute_erotate_rigid.h +++ b/src/RIGID/compute_erotate_rigid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/compute_ke_rigid.h b/src/RIGID/compute_ke_rigid.h index 97ceb24cfd..2cbd059da3 100644 --- a/src/RIGID/compute_ke_rigid.h +++ b/src/RIGID/compute_ke_rigid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/compute_rigid_local.h b/src/RIGID/compute_rigid_local.h index bedb8574d0..1fb7e93b5b 100644 --- a/src/RIGID/compute_rigid_local.h +++ b/src/RIGID/compute_rigid_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_ehex.h b/src/RIGID/fix_ehex.h index 860ed3d1f3..456b99320a 100644 --- a/src/RIGID/fix_ehex.h +++ b/src/RIGID/fix_ehex.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rattle.h b/src/RIGID/fix_rattle.h index cab148f10c..7b541bac77 100644 --- a/src/RIGID/fix_rattle.h +++ b/src/RIGID/fix_rattle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h index cd32d0ca72..e04b4cf143 100644 --- a/src/RIGID/fix_rigid.h +++ b/src/RIGID/fix_rigid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nh.h b/src/RIGID/fix_rigid_nh.h index 10ad9b24fb..86492e5531 100644 --- a/src/RIGID/fix_rigid_nh.h +++ b/src/RIGID/fix_rigid_nh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nh_small.h b/src/RIGID/fix_rigid_nh_small.h index 899cec1122..54d5421ceb 100644 --- a/src/RIGID/fix_rigid_nh_small.h +++ b/src/RIGID/fix_rigid_nh_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nph.h b/src/RIGID/fix_rigid_nph.h index 836c357d8f..9f716286ae 100644 --- a/src/RIGID/fix_rigid_nph.h +++ b/src/RIGID/fix_rigid_nph.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nph_small.h b/src/RIGID/fix_rigid_nph_small.h index 073fbee5eb..798d0b904b 100644 --- a/src/RIGID/fix_rigid_nph_small.h +++ b/src/RIGID/fix_rigid_nph_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_npt.h b/src/RIGID/fix_rigid_npt.h index 09efecdae8..6c10f44ac9 100644 --- a/src/RIGID/fix_rigid_npt.h +++ b/src/RIGID/fix_rigid_npt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_npt_small.h b/src/RIGID/fix_rigid_npt_small.h index 82bac2780e..2b3f0e3b5e 100644 --- a/src/RIGID/fix_rigid_npt_small.h +++ b/src/RIGID/fix_rigid_npt_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nve.h b/src/RIGID/fix_rigid_nve.h index 22039eaf09..59ba184279 100644 --- a/src/RIGID/fix_rigid_nve.h +++ b/src/RIGID/fix_rigid_nve.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nve_small.h b/src/RIGID/fix_rigid_nve_small.h index f534a3efa8..96de7f2bcd 100644 --- a/src/RIGID/fix_rigid_nve_small.h +++ b/src/RIGID/fix_rigid_nve_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nvt.h b/src/RIGID/fix_rigid_nvt.h index 11091125ae..4c2c003d78 100644 --- a/src/RIGID/fix_rigid_nvt.h +++ b/src/RIGID/fix_rigid_nvt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_nvt_small.h b/src/RIGID/fix_rigid_nvt_small.h index 5fd0ce290a..4f83546b77 100644 --- a/src/RIGID/fix_rigid_nvt_small.h +++ b/src/RIGID/fix_rigid_nvt_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index 6534017971..16a5e58da5 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/fix_shake.h b/src/RIGID/fix_shake.h index f1be3e2d1d..d627986038 100644 --- a/src/RIGID/fix_shake.h +++ b/src/RIGID/fix_shake.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/RIGID/rigid_const.h b/src/RIGID/rigid_const.h index b345a6b9dc..b37bd9fad2 100644 --- a/src/RIGID/rigid_const.h +++ b/src/RIGID/rigid_const.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SHOCK/fix_append_atoms.h b/src/SHOCK/fix_append_atoms.h index cc26acc8b8..e2cf1cb025 100644 --- a/src/SHOCK/fix_append_atoms.h +++ b/src/SHOCK/fix_append_atoms.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SHOCK/fix_msst.h b/src/SHOCK/fix_msst.h index 43a4ca77a4..e253e1860f 100644 --- a/src/SHOCK/fix_msst.h +++ b/src/SHOCK/fix_msst.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SHOCK/fix_nphug.h b/src/SHOCK/fix_nphug.h index 9ad5e3ab00..bdf28d75d1 100644 --- a/src/SHOCK/fix_nphug.h +++ b/src/SHOCK/fix_nphug.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SHOCK/fix_wall_piston.h b/src/SHOCK/fix_wall_piston.h index 28135b2359..1801d5c86a 100644 --- a/src/SHOCK/fix_wall_piston.h +++ b/src/SHOCK/fix_wall_piston.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/compute_sna_atom.h b/src/SNAP/compute_sna_atom.h index 1ad325729d..c9ef46a2f5 100644 --- a/src/SNAP/compute_sna_atom.h +++ b/src/SNAP/compute_sna_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/compute_snad_atom.h b/src/SNAP/compute_snad_atom.h index 15609bdfdc..e5c54226e8 100644 --- a/src/SNAP/compute_snad_atom.h +++ b/src/SNAP/compute_snad_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/compute_snap.h b/src/SNAP/compute_snap.h index 7151839c8c..43fe4df882 100644 --- a/src/SNAP/compute_snap.h +++ b/src/SNAP/compute_snap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/compute_snav_atom.h b/src/SNAP/compute_snav_atom.h index 857671388b..36a64239da 100644 --- a/src/SNAP/compute_snav_atom.h +++ b/src/SNAP/compute_snav_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/pair_snap.h b/src/SNAP/pair_snap.h index ee596d2ba7..3f8393b03c 100644 --- a/src/SNAP/pair_snap.h +++ b/src/SNAP/pair_snap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SNAP/sna.h b/src/SNAP/sna.h index 746b55fb70..1444fecaf7 100644 --- a/src/SNAP/sna.h +++ b/src/SNAP/sna.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/atom_vec_spin.h b/src/SPIN/atom_vec_spin.h index f24791605d..6aa1cccee0 100644 --- a/src/SPIN/atom_vec_spin.h +++ b/src/SPIN/atom_vec_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/compute_spin.h b/src/SPIN/compute_spin.h index d98a61bb39..3b4c28674e 100644 --- a/src/SPIN/compute_spin.h +++ b/src/SPIN/compute_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/fix_langevin_spin.h b/src/SPIN/fix_langevin_spin.h index 090e5b666a..707ffa48a7 100644 --- a/src/SPIN/fix_langevin_spin.h +++ b/src/SPIN/fix_langevin_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/fix_neb_spin.h b/src/SPIN/fix_neb_spin.h index 9646684a3a..3c095ef3c2 100644 --- a/src/SPIN/fix_neb_spin.h +++ b/src/SPIN/fix_neb_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/fix_nve_spin.h b/src/SPIN/fix_nve_spin.h index ac5bc57b25..b7992f61f9 100644 --- a/src/SPIN/fix_nve_spin.h +++ b/src/SPIN/fix_nve_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/fix_precession_spin.h b/src/SPIN/fix_precession_spin.h index d06a04f8f1..d3955cc822 100644 --- a/src/SPIN/fix_precession_spin.h +++ b/src/SPIN/fix_precession_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/fix_setforce_spin.h b/src/SPIN/fix_setforce_spin.h index 1c5ce54dd3..4809bb801b 100644 --- a/src/SPIN/fix_setforce_spin.h +++ b/src/SPIN/fix_setforce_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/min_spin.h b/src/SPIN/min_spin.h index f2df81e58c..ee4bfb20b4 100644 --- a/src/SPIN/min_spin.h +++ b/src/SPIN/min_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/min_spin_cg.h b/src/SPIN/min_spin_cg.h index 640721b8ef..5d87e05f4e 100644 --- a/src/SPIN/min_spin_cg.h +++ b/src/SPIN/min_spin_cg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/min_spin_lbfgs.h b/src/SPIN/min_spin_lbfgs.h index 8b470b5d23..de21c8b3a5 100644 --- a/src/SPIN/min_spin_lbfgs.h +++ b/src/SPIN/min_spin_lbfgs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/neb_spin.h b/src/SPIN/neb_spin.h index 54d85093a5..bdb7e34caf 100644 --- a/src/SPIN/neb_spin.h +++ b/src/SPIN/neb_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin.h b/src/SPIN/pair_spin.h index 9db2bd4177..2e115d69f1 100644 --- a/src/SPIN/pair_spin.h +++ b/src/SPIN/pair_spin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_dmi.h b/src/SPIN/pair_spin_dmi.h index 01022623ec..0d73a77dd5 100644 --- a/src/SPIN/pair_spin_dmi.h +++ b/src/SPIN/pair_spin_dmi.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_exchange.h b/src/SPIN/pair_spin_exchange.h index 2a31f9516e..d8e79b8775 100644 --- a/src/SPIN/pair_spin_exchange.h +++ b/src/SPIN/pair_spin_exchange.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_exchange_biquadratic.cpp b/src/SPIN/pair_spin_exchange_biquadratic.cpp index a00d1cc8b0..6d171cef16 100644 --- a/src/SPIN/pair_spin_exchange_biquadratic.cpp +++ b/src/SPIN/pair_spin_exchange_biquadratic.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_exchange_biquadratic.h b/src/SPIN/pair_spin_exchange_biquadratic.h index 9619416f2e..a4104edce3 100644 --- a/src/SPIN/pair_spin_exchange_biquadratic.h +++ b/src/SPIN/pair_spin_exchange_biquadratic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_magelec.h b/src/SPIN/pair_spin_magelec.h index 4df0078bea..1c3cf00b22 100644 --- a/src/SPIN/pair_spin_magelec.h +++ b/src/SPIN/pair_spin_magelec.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SPIN/pair_spin_neel.h b/src/SPIN/pair_spin_neel.h index a39cf839c9..03712b3ca3 100644 --- a/src/SPIN/pair_spin_neel.h +++ b/src/SPIN/pair_spin_neel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index b86b3d9f9b..923228f808 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/SRD/fix_wall_srd.h b/src/SRD/fix_wall_srd.h index b0f1560771..11ab8cc0bc 100644 --- a/src/SRD/fix_wall_srd.h +++ b/src/SRD/fix_wall_srd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/STUBS/mpi.h b/src/STUBS/mpi.h index 28e897960d..c4d8848f57 100644 --- a/src/STUBS/mpi.h +++ b/src/STUBS/mpi.h @@ -1,4 +1,4 @@ -/* ----------------------------------------------------------------------- +/* -*- c++ -*- ----------------------------------------------------------- LAMMPS 2003 (July 31) - Molecular Dynamics Simulator Sandia National Laboratories, www.cs.sandia.gov/~sjplimp/lammps.html Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-ADIOS/dump_atom_adios.h b/src/USER-ADIOS/dump_atom_adios.h index dc6bc519bb..40ef386dc6 100644 --- a/src/USER-ADIOS/dump_atom_adios.h +++ b/src/USER-ADIOS/dump_atom_adios.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-ADIOS/dump_custom_adios.h b/src/USER-ADIOS/dump_custom_adios.h index d5d41eb8c7..6a2a2b84b2 100644 --- a/src/USER-ADIOS/dump_custom_adios.h +++ b/src/USER-ADIOS/dump_custom_adios.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-ADIOS/reader_adios.h b/src/USER-ADIOS/reader_adios.h index e9c59c502f..999375f2f5 100644 --- a/src/USER-ADIOS/reader_adios.h +++ b/src/USER-ADIOS/reader_adios.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-AWPMD/atom_vec_wavepacket.h b/src/USER-AWPMD/atom_vec_wavepacket.h index 123414eeb7..479bb267e4 100644 --- a/src/USER-AWPMD/atom_vec_wavepacket.h +++ b/src/USER-AWPMD/atom_vec_wavepacket.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-AWPMD/fix_nve_awpmd.h b/src/USER-AWPMD/fix_nve_awpmd.h index 832f5821a3..b3edfeb4e6 100644 --- a/src/USER-AWPMD/fix_nve_awpmd.h +++ b/src/USER-AWPMD/fix_nve_awpmd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-AWPMD/pair_awpmd_cut.h b/src/USER-AWPMD/pair_awpmd_cut.h index fb8b9c65dc..46f43c09cf 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.h +++ b/src/USER-AWPMD/pair_awpmd_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-BOCS/compute_pressure_bocs.h b/src/USER-BOCS/compute_pressure_bocs.h index 6592d5b35e..eccc43bf48 100644 --- a/src/USER-BOCS/compute_pressure_bocs.h +++ b/src/USER-BOCS/compute_pressure_bocs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-BOCS/fix_bocs.h b/src/USER-BOCS/fix_bocs.h index a1a9f58d2b..da5eaac6d6 100644 --- a/src/USER-BOCS/fix_bocs.h +++ b/src/USER-BOCS/fix_bocs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/bond_oxdna2_fene.h b/src/USER-CGDNA/bond_oxdna2_fene.h index 4bcce337ed..474692de67 100644 --- a/src/USER-CGDNA/bond_oxdna2_fene.h +++ b/src/USER-CGDNA/bond_oxdna2_fene.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/bond_oxdna_fene.h b/src/USER-CGDNA/bond_oxdna_fene.h index 0c702d719a..012aa35b0c 100644 --- a/src/USER-CGDNA/bond_oxdna_fene.h +++ b/src/USER-CGDNA/bond_oxdna_fene.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/bond_oxrna2_fene.h b/src/USER-CGDNA/bond_oxrna2_fene.h index 585a253eb5..898202700c 100644 --- a/src/USER-CGDNA/bond_oxrna2_fene.h +++ b/src/USER-CGDNA/bond_oxrna2_fene.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/fix_nve_dot.h b/src/USER-CGDNA/fix_nve_dot.h index 2c2ff3be63..e87d856dda 100644 --- a/src/USER-CGDNA/fix_nve_dot.h +++ b/src/USER-CGDNA/fix_nve_dot.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/fix_nve_dotc_langevin.h b/src/USER-CGDNA/fix_nve_dotc_langevin.h index 7f011c0ff5..b2fe7d2eb0 100644 --- a/src/USER-CGDNA/fix_nve_dotc_langevin.h +++ b/src/USER-CGDNA/fix_nve_dotc_langevin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/mf_oxdna.h b/src/USER-CGDNA/mf_oxdna.h index 3c4e714f6b..05bf5eae8f 100644 --- a/src/USER-CGDNA/mf_oxdna.h +++ b/src/USER-CGDNA/mf_oxdna.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna2_coaxstk.h b/src/USER-CGDNA/pair_oxdna2_coaxstk.h index e20d1b3fdc..b397a8a60d 100644 --- a/src/USER-CGDNA/pair_oxdna2_coaxstk.h +++ b/src/USER-CGDNA/pair_oxdna2_coaxstk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna2_dh.h b/src/USER-CGDNA/pair_oxdna2_dh.h index da72060927..6b6dbd6e50 100644 --- a/src/USER-CGDNA/pair_oxdna2_dh.h +++ b/src/USER-CGDNA/pair_oxdna2_dh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna2_excv.h b/src/USER-CGDNA/pair_oxdna2_excv.h index d61317009b..1faaca89ff 100644 --- a/src/USER-CGDNA/pair_oxdna2_excv.h +++ b/src/USER-CGDNA/pair_oxdna2_excv.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna_coaxstk.h b/src/USER-CGDNA/pair_oxdna_coaxstk.h index 79c8fa24ed..c4095a2c21 100644 --- a/src/USER-CGDNA/pair_oxdna_coaxstk.h +++ b/src/USER-CGDNA/pair_oxdna_coaxstk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna_excv.h b/src/USER-CGDNA/pair_oxdna_excv.h index 34fd323ec1..c9e51df46e 100644 --- a/src/USER-CGDNA/pair_oxdna_excv.h +++ b/src/USER-CGDNA/pair_oxdna_excv.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna_hbond.h b/src/USER-CGDNA/pair_oxdna_hbond.h index fe451480a8..0a0d99c998 100644 --- a/src/USER-CGDNA/pair_oxdna_hbond.h +++ b/src/USER-CGDNA/pair_oxdna_hbond.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna_stk.h b/src/USER-CGDNA/pair_oxdna_stk.h index 29ed168ca3..f4ffe62dfa 100644 --- a/src/USER-CGDNA/pair_oxdna_stk.h +++ b/src/USER-CGDNA/pair_oxdna_stk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxdna_xstk.h b/src/USER-CGDNA/pair_oxdna_xstk.h index d2fc7fde89..5811ca3a76 100644 --- a/src/USER-CGDNA/pair_oxdna_xstk.h +++ b/src/USER-CGDNA/pair_oxdna_xstk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxrna2_dh.h b/src/USER-CGDNA/pair_oxrna2_dh.h index 8ff4010113..a9f0640085 100644 --- a/src/USER-CGDNA/pair_oxrna2_dh.h +++ b/src/USER-CGDNA/pair_oxrna2_dh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxrna2_excv.h b/src/USER-CGDNA/pair_oxrna2_excv.h index 2dfb356203..e496db881e 100644 --- a/src/USER-CGDNA/pair_oxrna2_excv.h +++ b/src/USER-CGDNA/pair_oxrna2_excv.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxrna2_hbond.h b/src/USER-CGDNA/pair_oxrna2_hbond.h index 3386cc23ec..1122949110 100644 --- a/src/USER-CGDNA/pair_oxrna2_hbond.h +++ b/src/USER-CGDNA/pair_oxrna2_hbond.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxrna2_stk.h b/src/USER-CGDNA/pair_oxrna2_stk.h index 519f7c0707..96ea2752ed 100644 --- a/src/USER-CGDNA/pair_oxrna2_stk.h +++ b/src/USER-CGDNA/pair_oxrna2_stk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGDNA/pair_oxrna2_xstk.h b/src/USER-CGDNA/pair_oxrna2_xstk.h index 97e878c342..7b07f3fad4 100644 --- a/src/USER-CGDNA/pair_oxrna2_xstk.h +++ b/src/USER-CGDNA/pair_oxrna2_xstk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGSDK/angle_sdk.h b/src/USER-CGSDK/angle_sdk.h index 2e94b44470..8ff252f359 100644 --- a/src/USER-CGSDK/angle_sdk.h +++ b/src/USER-CGSDK/angle_sdk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGSDK/lj_sdk_common.h b/src/USER-CGSDK/lj_sdk_common.h index 51dcb4c2b7..d09fd9f439 100644 --- a/src/USER-CGSDK/lj_sdk_common.h +++ b/src/USER-CGSDK/lj_sdk_common.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGSDK/pair_lj_sdk.h b/src/USER-CGSDK/pair_lj_sdk.h index 11c123a72c..2d825d9a05 100644 --- a/src/USER-CGSDK/pair_lj_sdk.h +++ b/src/USER-CGSDK/pair_lj_sdk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_long.h b/src/USER-CGSDK/pair_lj_sdk_coul_long.h index 57779cc0b9..d505b4e161 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_long.h +++ b/src/USER-CGSDK/pair_lj_sdk_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-CGSDK/pair_lj_sdk_coul_msm.h b/src/USER-CGSDK/pair_lj_sdk_coul_msm.h index 8438ced66b..dc15b07820 100644 --- a/src/USER-CGSDK/pair_lj_sdk_coul_msm.h +++ b/src/USER-CGSDK/pair_lj_sdk_coul_msm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-COLVARS/fix_colvars.h b/src/USER-COLVARS/fix_colvars.h index fff61ce218..21f7ca7d98 100644 --- a/src/USER-COLVARS/fix_colvars.h +++ b/src/USER-COLVARS/fix_colvars.h @@ -9,7 +9,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-COLVARS/group_ndx.h b/src/USER-COLVARS/group_ndx.h index 58b210937a..ec578a5b61 100644 --- a/src/USER-COLVARS/group_ndx.h +++ b/src/USER-COLVARS/group_ndx.h @@ -2,7 +2,7 @@ /* ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-COLVARS/ndx_group.h b/src/USER-COLVARS/ndx_group.h index 91b2e471ba..753d09ce82 100644 --- a/src/USER-COLVARS/ndx_group.h +++ b/src/USER-COLVARS/ndx_group.h @@ -2,7 +2,7 @@ /* ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DIFFRACTION/compute_saed.h b/src/USER-DIFFRACTION/compute_saed.h index 87785c4936..dc4268eee7 100644 --- a/src/USER-DIFFRACTION/compute_saed.h +++ b/src/USER-DIFFRACTION/compute_saed.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DIFFRACTION/compute_saed_consts.h b/src/USER-DIFFRACTION/compute_saed_consts.h index 0c07ae13ad..63743d0d9a 100644 --- a/src/USER-DIFFRACTION/compute_saed_consts.h +++ b/src/USER-DIFFRACTION/compute_saed_consts.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DIFFRACTION/compute_xrd.h b/src/USER-DIFFRACTION/compute_xrd.h index 61e1dae1bd..b0beca201c 100644 --- a/src/USER-DIFFRACTION/compute_xrd.h +++ b/src/USER-DIFFRACTION/compute_xrd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DIFFRACTION/compute_xrd_consts.h b/src/USER-DIFFRACTION/compute_xrd_consts.h index aeaddf7daa..945f0c51b7 100644 --- a/src/USER-DIFFRACTION/compute_xrd_consts.h +++ b/src/USER-DIFFRACTION/compute_xrd_consts.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DIFFRACTION/fix_saed_vtk.h b/src/USER-DIFFRACTION/fix_saed_vtk.h index 1f70bfd164..83c7161275 100644 --- a/src/USER-DIFFRACTION/fix_saed_vtk.h +++ b/src/USER-DIFFRACTION/fix_saed_vtk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/atom_vec_dpd.h b/src/USER-DPD/atom_vec_dpd.h index 61abc658b8..ea3fb6abf0 100644 --- a/src/USER-DPD/atom_vec_dpd.h +++ b/src/USER-DPD/atom_vec_dpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/compute_dpd.h b/src/USER-DPD/compute_dpd.h index 695048eef3..a77e19bee8 100644 --- a/src/USER-DPD/compute_dpd.h +++ b/src/USER-DPD/compute_dpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/compute_dpd_atom.h b/src/USER-DPD/compute_dpd_atom.h index c77490be76..cbc913d628 100644 --- a/src/USER-DPD/compute_dpd_atom.h +++ b/src/USER-DPD/compute_dpd_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_dpd_energy.h b/src/USER-DPD/fix_dpd_energy.h index 89ba84c08b..c7160596bf 100644 --- a/src/USER-DPD/fix_dpd_energy.h +++ b/src/USER-DPD/fix_dpd_energy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_eos_cv.h b/src/USER-DPD/fix_eos_cv.h index 8ae34dc6a9..1ca7fbad56 100644 --- a/src/USER-DPD/fix_eos_cv.h +++ b/src/USER-DPD/fix_eos_cv.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_eos_table.h b/src/USER-DPD/fix_eos_table.h index 050e62d74b..4913250f90 100644 --- a/src/USER-DPD/fix_eos_table.h +++ b/src/USER-DPD/fix_eos_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_eos_table_rx.h b/src/USER-DPD/fix_eos_table_rx.h index 9de7c5fbc7..07adb1ec41 100644 --- a/src/USER-DPD/fix_eos_table_rx.h +++ b/src/USER-DPD/fix_eos_table_rx.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_rx.h b/src/USER-DPD/fix_rx.h index e2f9f5b88b..6113469274 100644 --- a/src/USER-DPD/fix_rx.h +++ b/src/USER-DPD/fix_rx.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/fix_shardlow.h b/src/USER-DPD/fix_shardlow.h index 67e4b8f32e..8762b67a23 100644 --- a/src/USER-DPD/fix_shardlow.h +++ b/src/USER-DPD/fix_shardlow.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/nbin_ssa.h b/src/USER-DPD/nbin_ssa.h index eb4b2db24c..41d94bf672 100644 --- a/src/USER-DPD/nbin_ssa.h +++ b/src/USER-DPD/nbin_ssa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/npair_half_bin_newton_ssa.h b/src/USER-DPD/npair_half_bin_newton_ssa.h index 584d87e3ad..7ed3574c4f 100644 --- a/src/USER-DPD/npair_half_bin_newton_ssa.h +++ b/src/USER-DPD/npair_half_bin_newton_ssa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/nstencil_half_bin_2d_newton_ssa.h b/src/USER-DPD/nstencil_half_bin_2d_newton_ssa.h index 1d5cc3f6b2..db6c687bfb 100644 --- a/src/USER-DPD/nstencil_half_bin_2d_newton_ssa.h +++ b/src/USER-DPD/nstencil_half_bin_2d_newton_ssa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/nstencil_half_bin_3d_newton_ssa.h b/src/USER-DPD/nstencil_half_bin_3d_newton_ssa.h index 450a696e46..e351faea80 100644 --- a/src/USER-DPD/nstencil_half_bin_3d_newton_ssa.h +++ b/src/USER-DPD/nstencil_half_bin_3d_newton_ssa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/nstencil_ssa.h b/src/USER-DPD/nstencil_ssa.h index f6f91fefde..2e0de390f2 100644 --- a/src/USER-DPD/nstencil_ssa.h +++ b/src/USER-DPD/nstencil_ssa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_dpd_fdt.h b/src/USER-DPD/pair_dpd_fdt.h index 84b09b0fa2..768b264a40 100644 --- a/src/USER-DPD/pair_dpd_fdt.h +++ b/src/USER-DPD/pair_dpd_fdt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_dpd_fdt_energy.h b/src/USER-DPD/pair_dpd_fdt_energy.h index e21b48f7bd..5692b5a836 100644 --- a/src/USER-DPD/pair_dpd_fdt_energy.h +++ b/src/USER-DPD/pair_dpd_fdt_energy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_exp6_rx.h b/src/USER-DPD/pair_exp6_rx.h index 45c046cc07..d306ac62c8 100644 --- a/src/USER-DPD/pair_exp6_rx.h +++ b/src/USER-DPD/pair_exp6_rx.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_multi_lucy.h b/src/USER-DPD/pair_multi_lucy.h index 0a2d2f9885..e1440a12f2 100644 --- a/src/USER-DPD/pair_multi_lucy.h +++ b/src/USER-DPD/pair_multi_lucy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_multi_lucy_rx.h b/src/USER-DPD/pair_multi_lucy_rx.h index 2bfa5d20e3..005144173e 100644 --- a/src/USER-DPD/pair_multi_lucy_rx.h +++ b/src/USER-DPD/pair_multi_lucy_rx.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/pair_table_rx.h b/src/USER-DPD/pair_table_rx.h index da7889e99a..ac97b8af1e 100644 --- a/src/USER-DPD/pair_table_rx.h +++ b/src/USER-DPD/pair_table_rx.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DPD/random_external_state.h b/src/USER-DPD/random_external_state.h index e7d11a5926..037a5ee8b0 100644 --- a/src/USER-DPD/random_external_state.h +++ b/src/USER-DPD/random_external_state.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/compute_temp_drude.h b/src/USER-DRUDE/compute_temp_drude.h index 530c84ce3d..b1ef758e23 100644 --- a/src/USER-DRUDE/compute_temp_drude.h +++ b/src/USER-DRUDE/compute_temp_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_drude.h b/src/USER-DRUDE/fix_drude.h index 6775dcee6f..332ca837a9 100644 --- a/src/USER-DRUDE/fix_drude.h +++ b/src/USER-DRUDE/fix_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_drude_transform.h b/src/USER-DRUDE/fix_drude_transform.h index b74a500c95..1b8e5fa46a 100644 --- a/src/USER-DRUDE/fix_drude_transform.h +++ b/src/USER-DRUDE/fix_drude_transform.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_langevin_drude.h b/src/USER-DRUDE/fix_langevin_drude.h index 9437883ba3..08e0ecd1a6 100644 --- a/src/USER-DRUDE/fix_langevin_drude.h +++ b/src/USER-DRUDE/fix_langevin_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_tgnh_drude.h b/src/USER-DRUDE/fix_tgnh_drude.h index 4d29bb90e7..2063f0a97e 100644 --- a/src/USER-DRUDE/fix_tgnh_drude.h +++ b/src/USER-DRUDE/fix_tgnh_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_tgnpt_drude.h b/src/USER-DRUDE/fix_tgnpt_drude.h index afb55ae0d7..f1cbb68f5a 100644 --- a/src/USER-DRUDE/fix_tgnpt_drude.h +++ b/src/USER-DRUDE/fix_tgnpt_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/fix_tgnvt_drude.h b/src/USER-DRUDE/fix_tgnvt_drude.h index 64f2e52e9c..eb73e8c918 100644 --- a/src/USER-DRUDE/fix_tgnvt_drude.h +++ b/src/USER-DRUDE/fix_tgnvt_drude.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/pair_coul_tt.h b/src/USER-DRUDE/pair_coul_tt.h index f1c250f8b4..23ef827968 100644 --- a/src/USER-DRUDE/pair_coul_tt.h +++ b/src/USER-DRUDE/pair_coul_tt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/pair_lj_cut_thole_long.h b/src/USER-DRUDE/pair_lj_cut_thole_long.h index 8dbfe0240c..cd01db6f72 100644 --- a/src/USER-DRUDE/pair_lj_cut_thole_long.h +++ b/src/USER-DRUDE/pair_lj_cut_thole_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-DRUDE/pair_thole.h b/src/USER-DRUDE/pair_thole.h index 88c00b6d20..ff93797f5e 100644 --- a/src/USER-DRUDE/pair_thole.h +++ b/src/USER-DRUDE/pair_thole.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/atom_vec_electron.h b/src/USER-EFF/atom_vec_electron.h index 9175ca52f7..3cdd218f55 100644 --- a/src/USER-EFF/atom_vec_electron.h +++ b/src/USER-EFF/atom_vec_electron.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/compute_ke_atom_eff.h b/src/USER-EFF/compute_ke_atom_eff.h index e5ef5e58d0..c1ea0ac8ce 100644 --- a/src/USER-EFF/compute_ke_atom_eff.h +++ b/src/USER-EFF/compute_ke_atom_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/compute_ke_eff.h b/src/USER-EFF/compute_ke_eff.h index c4752066bd..854c60f110 100644 --- a/src/USER-EFF/compute_ke_eff.h +++ b/src/USER-EFF/compute_ke_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/compute_temp_deform_eff.h b/src/USER-EFF/compute_temp_deform_eff.h index ef531d024b..880c436916 100644 --- a/src/USER-EFF/compute_temp_deform_eff.h +++ b/src/USER-EFF/compute_temp_deform_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/compute_temp_eff.h b/src/USER-EFF/compute_temp_eff.h index cb5af36ec1..d66b65e3a2 100644 --- a/src/USER-EFF/compute_temp_eff.h +++ b/src/USER-EFF/compute_temp_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/compute_temp_region_eff.h b/src/USER-EFF/compute_temp_region_eff.h index 682a415a42..064e0ae6de 100644 --- a/src/USER-EFF/compute_temp_region_eff.h +++ b/src/USER-EFF/compute_temp_region_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_langevin_eff.h b/src/USER-EFF/fix_langevin_eff.h index 1ef9731395..3ba75b4fe0 100644 --- a/src/USER-EFF/fix_langevin_eff.h +++ b/src/USER-EFF/fix_langevin_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_nh_eff.h b/src/USER-EFF/fix_nh_eff.h index 408286396e..b98a4fa481 100644 --- a/src/USER-EFF/fix_nh_eff.h +++ b/src/USER-EFF/fix_nh_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_nph_eff.h b/src/USER-EFF/fix_nph_eff.h index 8178b121c3..04c28b0f66 100644 --- a/src/USER-EFF/fix_nph_eff.h +++ b/src/USER-EFF/fix_nph_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_npt_eff.h b/src/USER-EFF/fix_npt_eff.h index 5dfb09ae92..e726a84668 100644 --- a/src/USER-EFF/fix_npt_eff.h +++ b/src/USER-EFF/fix_npt_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_nve_eff.h b/src/USER-EFF/fix_nve_eff.h index b33546ce46..b8a31fb5e4 100644 --- a/src/USER-EFF/fix_nve_eff.h +++ b/src/USER-EFF/fix_nve_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_nvt_eff.h b/src/USER-EFF/fix_nvt_eff.h index cff474f5ed..a333de126e 100644 --- a/src/USER-EFF/fix_nvt_eff.h +++ b/src/USER-EFF/fix_nvt_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_nvt_sllod_eff.h b/src/USER-EFF/fix_nvt_sllod_eff.h index ef52541237..e1b6384c2d 100644 --- a/src/USER-EFF/fix_nvt_sllod_eff.h +++ b/src/USER-EFF/fix_nvt_sllod_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/fix_temp_rescale_eff.h b/src/USER-EFF/fix_temp_rescale_eff.h index f670a98808..c57230359b 100644 --- a/src/USER-EFF/fix_temp_rescale_eff.h +++ b/src/USER-EFF/fix_temp_rescale_eff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/pair_eff_cut.h b/src/USER-EFF/pair_eff_cut.h index bd04344373..0b3e4b3c13 100644 --- a/src/USER-EFF/pair_eff_cut.h +++ b/src/USER-EFF/pair_eff_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-EFF/pair_eff_inline.h b/src/USER-EFF/pair_eff_inline.h index f30a122265..4971b3d6ce 100644 --- a/src/USER-EFF/pair_eff_inline.h +++ b/src/USER-EFF/pair_eff_inline.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/compute_fep.h b/src/USER-FEP/compute_fep.h index 4a154b4685..947634f5a7 100644 --- a/src/USER-FEP/compute_fep.h +++ b/src/USER-FEP/compute_fep.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/fix_adapt_fep.h b/src/USER-FEP/fix_adapt_fep.h index cee19752e4..4846c6b7b9 100644 --- a/src/USER-FEP/fix_adapt_fep.h +++ b/src/USER-FEP/fix_adapt_fep.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_coul_cut_soft.h b/src/USER-FEP/pair_coul_cut_soft.h index 2e9e1ac8d2..8aa6e2232e 100644 --- a/src/USER-FEP/pair_coul_cut_soft.h +++ b/src/USER-FEP/pair_coul_cut_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_coul_long_soft.h b/src/USER-FEP/pair_coul_long_soft.h index 013a94a2f4..7acbaaaffc 100644 --- a/src/USER-FEP/pair_coul_long_soft.h +++ b/src/USER-FEP/pair_coul_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.h b/src/USER-FEP/pair_lj_charmm_coul_long_soft.h index 252c9f66f5..1061010bb9 100644 --- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.h +++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_class2_coul_cut_soft.h b/src/USER-FEP/pair_lj_class2_coul_cut_soft.h index d4d8c264b5..f35dd00a26 100644 --- a/src/USER-FEP/pair_lj_class2_coul_cut_soft.h +++ b/src/USER-FEP/pair_lj_class2_coul_cut_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_class2_coul_long_soft.h b/src/USER-FEP/pair_lj_class2_coul_long_soft.h index c334ef19df..2a38c1db7b 100644 --- a/src/USER-FEP/pair_lj_class2_coul_long_soft.h +++ b/src/USER-FEP/pair_lj_class2_coul_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_class2_soft.h b/src/USER-FEP/pair_lj_class2_soft.h index ef031a1911..f107ae1fbc 100644 --- a/src/USER-FEP/pair_lj_class2_soft.h +++ b/src/USER-FEP/pair_lj_class2_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.h b/src/USER-FEP/pair_lj_cut_coul_cut_soft.h index fa9e0ab71f..1a3f213c04 100644 --- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.h +++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.h b/src/USER-FEP/pair_lj_cut_coul_long_soft.h index d49d1c8641..0abd33b3e5 100644 --- a/src/USER-FEP/pair_lj_cut_coul_long_soft.h +++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_cut_soft.h b/src/USER-FEP/pair_lj_cut_soft.h index 46202d78a8..8795b4fb16 100644 --- a/src/USER-FEP/pair_lj_cut_soft.h +++ b/src/USER-FEP/pair_lj_cut_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.h b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.h index 74a8ee742e..c95d7e162d 100644 --- a/src/USER-FEP/pair_lj_cut_tip4p_long_soft.h +++ b/src/USER-FEP/pair_lj_cut_tip4p_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_morse_soft.h b/src/USER-FEP/pair_morse_soft.h index 3a8d5a777f..14cc51a90f 100644 --- a/src/USER-FEP/pair_morse_soft.h +++ b/src/USER-FEP/pair_morse_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-FEP/pair_tip4p_long_soft.h b/src/USER-FEP/pair_tip4p_long_soft.h index ffd79d5f29..406a47a2ea 100644 --- a/src/USER-FEP/pair_tip4p_long_soft.h +++ b/src/USER-FEP/pair_tip4p_long_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-H5MD/dump_h5md.h b/src/USER-H5MD/dump_h5md.h index 496c30441e..967bfed7fa 100644 --- a/src/USER-H5MD/dump_h5md.h +++ b/src/USER-H5MD/dump_h5md.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/angle_charmm_intel.h b/src/USER-INTEL/angle_charmm_intel.h index 798e3d1523..7ee04ba8d9 100644 --- a/src/USER-INTEL/angle_charmm_intel.h +++ b/src/USER-INTEL/angle_charmm_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/angle_harmonic_intel.h b/src/USER-INTEL/angle_harmonic_intel.h index 7df4a98877..5efd663cea 100644 --- a/src/USER-INTEL/angle_harmonic_intel.h +++ b/src/USER-INTEL/angle_harmonic_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/bond_fene_intel.h b/src/USER-INTEL/bond_fene_intel.h index 92ec4097c0..13bcc35e97 100644 --- a/src/USER-INTEL/bond_fene_intel.h +++ b/src/USER-INTEL/bond_fene_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/bond_harmonic_intel.h b/src/USER-INTEL/bond_harmonic_intel.h index 449df3b7a8..234d75bda4 100644 --- a/src/USER-INTEL/bond_harmonic_intel.h +++ b/src/USER-INTEL/bond_harmonic_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/dihedral_charmm_intel.h b/src/USER-INTEL/dihedral_charmm_intel.h index bb830b7292..1cca32468b 100644 --- a/src/USER-INTEL/dihedral_charmm_intel.h +++ b/src/USER-INTEL/dihedral_charmm_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/dihedral_fourier_intel.h b/src/USER-INTEL/dihedral_fourier_intel.h index f91d89f6bc..ce446eec0d 100644 --- a/src/USER-INTEL/dihedral_fourier_intel.h +++ b/src/USER-INTEL/dihedral_fourier_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/dihedral_harmonic_intel.h b/src/USER-INTEL/dihedral_harmonic_intel.h index cdbae365fd..75570f2444 100644 --- a/src/USER-INTEL/dihedral_harmonic_intel.h +++ b/src/USER-INTEL/dihedral_harmonic_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/dihedral_opls_intel.h b/src/USER-INTEL/dihedral_opls_intel.h index 77fd8c4b95..b34777748d 100644 --- a/src/USER-INTEL/dihedral_opls_intel.h +++ b/src/USER-INTEL/dihedral_opls_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_intel.h b/src/USER-INTEL/fix_intel.h index df3aecbc81..46ebd95b6a 100644 --- a/src/USER-INTEL/fix_intel.h +++ b/src/USER-INTEL/fix_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_nh_intel.h b/src/USER-INTEL/fix_nh_intel.h index cc6ba8c481..a2a53bb616 100644 --- a/src/USER-INTEL/fix_nh_intel.h +++ b/src/USER-INTEL/fix_nh_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_npt_intel.h b/src/USER-INTEL/fix_npt_intel.h index bb0cbaf9e3..f383035050 100644 --- a/src/USER-INTEL/fix_npt_intel.h +++ b/src/USER-INTEL/fix_npt_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_nve_asphere_intel.h b/src/USER-INTEL/fix_nve_asphere_intel.h index 0c9ce2cddd..91e4240369 100644 --- a/src/USER-INTEL/fix_nve_asphere_intel.h +++ b/src/USER-INTEL/fix_nve_asphere_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_nve_intel.h b/src/USER-INTEL/fix_nve_intel.h index 182a12eb9f..1725f4266c 100644 --- a/src/USER-INTEL/fix_nve_intel.h +++ b/src/USER-INTEL/fix_nve_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_nvt_intel.h b/src/USER-INTEL/fix_nvt_intel.h index 7e940191ca..839e561b0f 100644 --- a/src/USER-INTEL/fix_nvt_intel.h +++ b/src/USER-INTEL/fix_nvt_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/fix_nvt_sllod_intel.h b/src/USER-INTEL/fix_nvt_sllod_intel.h index 81552aa34a..f6cd9638f2 100644 --- a/src/USER-INTEL/fix_nvt_sllod_intel.h +++ b/src/USER-INTEL/fix_nvt_sllod_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/improper_cvff_intel.h b/src/USER-INTEL/improper_cvff_intel.h index 94aa29c55f..cc752e1501 100644 --- a/src/USER-INTEL/improper_cvff_intel.h +++ b/src/USER-INTEL/improper_cvff_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/improper_harmonic_intel.h b/src/USER-INTEL/improper_harmonic_intel.h index ce1da11a33..ccd1543c17 100644 --- a/src/USER-INTEL/improper_harmonic_intel.h +++ b/src/USER-INTEL/improper_harmonic_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/intel_buffers.h b/src/USER-INTEL/intel_buffers.h index 86fc921c9e..eafe3ad845 100644 --- a/src/USER-INTEL/intel_buffers.h +++ b/src/USER-INTEL/intel_buffers.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/intel_intrinsics.h b/src/USER-INTEL/intel_intrinsics.h index d1f019feea..34ba902a67 100644 --- a/src/USER-INTEL/intel_intrinsics.h +++ b/src/USER-INTEL/intel_intrinsics.h @@ -1,6 +1,6 @@ /* *- c++ -*- ----------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/intel_preprocess.h b/src/USER-INTEL/intel_preprocess.h index 3c285871cf..2e7101b42d 100644 --- a/src/USER-INTEL/intel_preprocess.h +++ b/src/USER-INTEL/intel_preprocess.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/intel_simd.h b/src/USER-INTEL/intel_simd.h index 9022f439c4..01fa1c0a45 100644 --- a/src/USER-INTEL/intel_simd.h +++ b/src/USER-INTEL/intel_simd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/math_extra_intel.h b/src/USER-INTEL/math_extra_intel.h index 547fadb6e9..679ca635e1 100644 --- a/src/USER-INTEL/math_extra_intel.h +++ b/src/USER-INTEL/math_extra_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/nbin_intel.h b/src/USER-INTEL/nbin_intel.h index a7a28010ba..2aa4013dd9 100644 --- a/src/USER-INTEL/nbin_intel.h +++ b/src/USER-INTEL/nbin_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_full_bin_ghost_intel.h b/src/USER-INTEL/npair_full_bin_ghost_intel.h index 94e6fc3928..a352f89f75 100644 --- a/src/USER-INTEL/npair_full_bin_ghost_intel.h +++ b/src/USER-INTEL/npair_full_bin_ghost_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_full_bin_intel.h b/src/USER-INTEL/npair_full_bin_intel.h index 0f8a27b3b4..e5d8e0751e 100644 --- a/src/USER-INTEL/npair_full_bin_intel.h +++ b/src/USER-INTEL/npair_full_bin_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_half_bin_newton_intel.h b/src/USER-INTEL/npair_half_bin_newton_intel.h index 54a8e24135..17a1785a94 100644 --- a/src/USER-INTEL/npair_half_bin_newton_intel.h +++ b/src/USER-INTEL/npair_half_bin_newton_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_half_bin_newton_tri_intel.h b/src/USER-INTEL/npair_half_bin_newton_tri_intel.h index 7a7f4c8030..3e2ae2f25d 100644 --- a/src/USER-INTEL/npair_half_bin_newton_tri_intel.h +++ b/src/USER-INTEL/npair_half_bin_newton_tri_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_halffull_newtoff_intel.h b/src/USER-INTEL/npair_halffull_newtoff_intel.h index c4c41a85a1..b606343cb5 100644 --- a/src/USER-INTEL/npair_halffull_newtoff_intel.h +++ b/src/USER-INTEL/npair_halffull_newtoff_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_halffull_newton_intel.h b/src/USER-INTEL/npair_halffull_newton_intel.h index b3069d8074..5f727ac692 100644 --- a/src/USER-INTEL/npair_halffull_newton_intel.h +++ b/src/USER-INTEL/npair_halffull_newton_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_intel.h b/src/USER-INTEL/npair_intel.h index e040a1d8f3..191c5385f5 100644 --- a/src/USER-INTEL/npair_intel.h +++ b/src/USER-INTEL/npair_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/npair_skip_intel.h b/src/USER-INTEL/npair_skip_intel.h index 6bb3dfa5d0..0e9494f941 100644 --- a/src/USER-INTEL/npair_skip_intel.h +++ b/src/USER-INTEL/npair_skip_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_airebo_intel.h b/src/USER-INTEL/pair_airebo_intel.h index 675fda8fe3..de90177939 100644 --- a/src/USER-INTEL/pair_airebo_intel.h +++ b/src/USER-INTEL/pair_airebo_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_airebo_morse_intel.h b/src/USER-INTEL/pair_airebo_morse_intel.h index 5210ea80ee..4a97fce38b 100644 --- a/src/USER-INTEL/pair_airebo_morse_intel.h +++ b/src/USER-INTEL/pair_airebo_morse_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_buck_coul_cut_intel.h b/src/USER-INTEL/pair_buck_coul_cut_intel.h index 4bc19ac157..020f8afff7 100644 --- a/src/USER-INTEL/pair_buck_coul_cut_intel.h +++ b/src/USER-INTEL/pair_buck_coul_cut_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_buck_coul_long_intel.h b/src/USER-INTEL/pair_buck_coul_long_intel.h index 95492cd4e6..f05ebadeef 100644 --- a/src/USER-INTEL/pair_buck_coul_long_intel.h +++ b/src/USER-INTEL/pair_buck_coul_long_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_buck_intel.h b/src/USER-INTEL/pair_buck_intel.h index 0e473c7c3f..89702dd754 100644 --- a/src/USER-INTEL/pair_buck_intel.h +++ b/src/USER-INTEL/pair_buck_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_dpd_intel.h b/src/USER-INTEL/pair_dpd_intel.h index 409e123f29..94ef795ba5 100644 --- a/src/USER-INTEL/pair_dpd_intel.h +++ b/src/USER-INTEL/pair_dpd_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_eam_alloy_intel.h b/src/USER-INTEL/pair_eam_alloy_intel.h index 4967c3709d..82ba0c9f89 100644 --- a/src/USER-INTEL/pair_eam_alloy_intel.h +++ b/src/USER-INTEL/pair_eam_alloy_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_eam_fs_intel.h b/src/USER-INTEL/pair_eam_fs_intel.h index da2ab9d2d7..3614c5640e 100644 --- a/src/USER-INTEL/pair_eam_fs_intel.h +++ b/src/USER-INTEL/pair_eam_fs_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_eam_intel.h b/src/USER-INTEL/pair_eam_intel.h index b9ad11597a..a24b5e15dc 100644 --- a/src/USER-INTEL/pair_eam_intel.h +++ b/src/USER-INTEL/pair_eam_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_gayberne_intel.h b/src/USER-INTEL/pair_gayberne_intel.h index ecdd93d353..0374da4cb3 100644 --- a/src/USER-INTEL/pair_gayberne_intel.h +++ b/src/USER-INTEL/pair_gayberne_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.h b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.h index 006dbaade2..5bb6912363 100644 --- a/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.h +++ b/src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.h b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.h index f5b46eaf76..fe743a9841 100644 --- a/src/USER-INTEL/pair_lj_charmm_coul_long_intel.h +++ b/src/USER-INTEL/pair_lj_charmm_coul_long_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_lj_cut_coul_long_intel.h b/src/USER-INTEL/pair_lj_cut_coul_long_intel.h index 6172313639..5c3a4f38e2 100644 --- a/src/USER-INTEL/pair_lj_cut_coul_long_intel.h +++ b/src/USER-INTEL/pair_lj_cut_coul_long_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_lj_cut_intel.h b/src/USER-INTEL/pair_lj_cut_intel.h index b88d213211..710e4e39a0 100644 --- a/src/USER-INTEL/pair_lj_cut_intel.h +++ b/src/USER-INTEL/pair_lj_cut_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_lj_long_coul_long_intel.h b/src/USER-INTEL/pair_lj_long_coul_long_intel.h index b7d3504ecd..19adeda55e 100644 --- a/src/USER-INTEL/pair_lj_long_coul_long_intel.h +++ b/src/USER-INTEL/pair_lj_long_coul_long_intel.h @@ -1,6 +1,6 @@ /* *- c++ -*- ----------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_rebo_intel.h b/src/USER-INTEL/pair_rebo_intel.h index e76279a248..d4beebbaa7 100644 --- a/src/USER-INTEL/pair_rebo_intel.h +++ b/src/USER-INTEL/pair_rebo_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_sw_intel.h b/src/USER-INTEL/pair_sw_intel.h index f345b3d4ff..e8dfb00343 100644 --- a/src/USER-INTEL/pair_sw_intel.h +++ b/src/USER-INTEL/pair_sw_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pair_tersoff_intel.h b/src/USER-INTEL/pair_tersoff_intel.h index 195efa74de..48e1376110 100644 --- a/src/USER-INTEL/pair_tersoff_intel.h +++ b/src/USER-INTEL/pair_tersoff_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pppm_disp_intel.h b/src/USER-INTEL/pppm_disp_intel.h index 89f580aa08..0191bbcb81 100644 --- a/src/USER-INTEL/pppm_disp_intel.h +++ b/src/USER-INTEL/pppm_disp_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/pppm_intel.h b/src/USER-INTEL/pppm_intel.h index 0084301133..8dce1532ae 100644 --- a/src/USER-INTEL/pppm_intel.h +++ b/src/USER-INTEL/pppm_intel.h @@ -1,6 +1,6 @@ /* *- c++ -*- ----------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-INTEL/verlet_lrt_intel.h b/src/USER-INTEL/verlet_lrt_intel.h index 6c44ba7e57..02b24cae3f 100644 --- a/src/USER-INTEL/verlet_lrt_intel.h +++ b/src/USER-INTEL/verlet_lrt_intel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-LB/fix_lb_momentum.h b/src/USER-LB/fix_lb_momentum.h index 51c9f6f4a4..3f4fee5009 100644 --- a/src/USER-LB/fix_lb_momentum.h +++ b/src/USER-LB/fix_lb_momentum.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-LB/fix_lb_pc.h b/src/USER-LB/fix_lb_pc.h index 7d0be65e60..e088fab38f 100644 --- a/src/USER-LB/fix_lb_pc.h +++ b/src/USER-LB/fix_lb_pc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-LB/fix_lb_rigid_pc_sphere.h b/src/USER-LB/fix_lb_rigid_pc_sphere.h index be7e9ee253..946889e1db 100644 --- a/src/USER-LB/fix_lb_rigid_pc_sphere.h +++ b/src/USER-LB/fix_lb_rigid_pc_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-LB/fix_lb_viscous.h b/src/USER-LB/fix_lb_viscous.h index 51cecc293b..2f4206fc31 100644 --- a/src/USER-LB/fix_lb_viscous.h +++ b/src/USER-LB/fix_lb_viscous.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/fix_manifoldforce.h b/src/USER-MANIFOLD/fix_manifoldforce.h index 64a5011780..57dd2643d0 100644 --- a/src/USER-MANIFOLD/fix_manifoldforce.h +++ b/src/USER-MANIFOLD/fix_manifoldforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.h b/src/USER-MANIFOLD/fix_nve_manifold_rattle.h index 9ec2b3c78c..587dd94896 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.h +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h index 69e4eb13e1..1d44192be9 100644 --- a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h +++ b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/manifold.h b/src/USER-MANIFOLD/manifold.h index be9f2c9f65..c91647583f 100644 --- a/src/USER-MANIFOLD/manifold.h +++ b/src/USER-MANIFOLD/manifold.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/manifold_factory.h b/src/USER-MANIFOLD/manifold_factory.h index c6533855ad..400929cef0 100644 --- a/src/USER-MANIFOLD/manifold_factory.h +++ b/src/USER-MANIFOLD/manifold_factory.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MANIFOLD/manifold_gaussian_bump.h b/src/USER-MANIFOLD/manifold_gaussian_bump.h index d65979416b..30926f9815 100644 --- a/src/USER-MANIFOLD/manifold_gaussian_bump.h +++ b/src/USER-MANIFOLD/manifold_gaussian_bump.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MEAMC/meam.h b/src/USER-MEAMC/meam.h index e44e044d6e..f9440d9cbf 100644 --- a/src/USER-MEAMC/meam.h +++ b/src/USER-MEAMC/meam.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MEAMC/pair_meamc.h b/src/USER-MEAMC/pair_meamc.h index 24625c4076..de07d813b4 100644 --- a/src/USER-MEAMC/pair_meamc.h +++ b/src/USER-MEAMC/pair_meamc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/atom_vec_edpd.h b/src/USER-MESODPD/atom_vec_edpd.h index a69c44a035..f44e16bc7b 100644 --- a/src/USER-MESODPD/atom_vec_edpd.h +++ b/src/USER-MESODPD/atom_vec_edpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/atom_vec_mdpd.h b/src/USER-MESODPD/atom_vec_mdpd.h index 55f5e9bb2d..cac8437fa8 100644 --- a/src/USER-MESODPD/atom_vec_mdpd.h +++ b/src/USER-MESODPD/atom_vec_mdpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/atom_vec_tdpd.h b/src/USER-MESODPD/atom_vec_tdpd.h index 971696cc5c..678e7ac62e 100644 --- a/src/USER-MESODPD/atom_vec_tdpd.h +++ b/src/USER-MESODPD/atom_vec_tdpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/compute_edpd_temp_atom.h b/src/USER-MESODPD/compute_edpd_temp_atom.h index 4c61b664cc..e0899d4759 100644 --- a/src/USER-MESODPD/compute_edpd_temp_atom.h +++ b/src/USER-MESODPD/compute_edpd_temp_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/compute_tdpd_cc_atom.h b/src/USER-MESODPD/compute_tdpd_cc_atom.h index 324cb779a4..fe6278a16f 100644 --- a/src/USER-MESODPD/compute_tdpd_cc_atom.h +++ b/src/USER-MESODPD/compute_tdpd_cc_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/fix_edpd_source.h b/src/USER-MESODPD/fix_edpd_source.h index 1ea8610ce9..048fd55517 100644 --- a/src/USER-MESODPD/fix_edpd_source.h +++ b/src/USER-MESODPD/fix_edpd_source.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/fix_mvv_dpd.h b/src/USER-MESODPD/fix_mvv_dpd.h index 86cc79485f..ffaba67f92 100644 --- a/src/USER-MESODPD/fix_mvv_dpd.h +++ b/src/USER-MESODPD/fix_mvv_dpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/fix_mvv_edpd.h b/src/USER-MESODPD/fix_mvv_edpd.h index 0d9c5f195a..d779780eee 100644 --- a/src/USER-MESODPD/fix_mvv_edpd.h +++ b/src/USER-MESODPD/fix_mvv_edpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/fix_mvv_tdpd.h b/src/USER-MESODPD/fix_mvv_tdpd.h index 7adb23af69..37e725b68f 100644 --- a/src/USER-MESODPD/fix_mvv_tdpd.h +++ b/src/USER-MESODPD/fix_mvv_tdpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/fix_tdpd_source.h b/src/USER-MESODPD/fix_tdpd_source.h index 302fe82090..451fa62e52 100644 --- a/src/USER-MESODPD/fix_tdpd_source.h +++ b/src/USER-MESODPD/fix_tdpd_source.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/pair_edpd.h b/src/USER-MESODPD/pair_edpd.h index 0670aa7754..c27a526225 100644 --- a/src/USER-MESODPD/pair_edpd.h +++ b/src/USER-MESODPD/pair_edpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/pair_mdpd.h b/src/USER-MESODPD/pair_mdpd.h index ea0389c7fe..11977a32b3 100644 --- a/src/USER-MESODPD/pair_mdpd.h +++ b/src/USER-MESODPD/pair_mdpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/pair_mdpd_rhosum.h b/src/USER-MESODPD/pair_mdpd_rhosum.h index a972ec7ccf..065bcc80b0 100644 --- a/src/USER-MESODPD/pair_mdpd_rhosum.h +++ b/src/USER-MESODPD/pair_mdpd_rhosum.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESODPD/pair_tdpd.h b/src/USER-MESODPD/pair_tdpd.h index bc0de79f8d..f141b3fe5b 100644 --- a/src/USER-MESODPD/pair_tdpd.h +++ b/src/USER-MESODPD/pair_tdpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESONT/atom_vec_mesont.h b/src/USER-MESONT/atom_vec_mesont.h index e7de8c7d40..da6b7d2a09 100644 --- a/src/USER-MESONT/atom_vec_mesont.h +++ b/src/USER-MESONT/atom_vec_mesont.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESONT/compute_mesont.h b/src/USER-MESONT/compute_mesont.h index e7165230a4..e3ee9a53c8 100644 --- a/src/USER-MESONT/compute_mesont.h +++ b/src/USER-MESONT/compute_mesont.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESONT/export_mesont.h b/src/USER-MESONT/export_mesont.h index 08a5be21b5..517b445d54 100644 --- a/src/USER-MESONT/export_mesont.h +++ b/src/USER-MESONT/export_mesont.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MESONT/pair_mesont_tpm.h b/src/USER-MESONT/pair_mesont_tpm.h index a18e555349..f7e600b888 100644 --- a/src/USER-MESONT/pair_mesont_tpm.h +++ b/src/USER-MESONT/pair_mesont_tpm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_bgmul_7.c.h b/src/USER-MGPT/mgpt_bgmul_7.c.h index d4e87c9fe6..5719697759 100644 --- a/src/USER-MGPT/mgpt_bgmul_7.c.h +++ b/src/USER-MGPT/mgpt_bgmul_7.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_linalg.h b/src/USER-MGPT/mgpt_linalg.h index a22956a7f6..20993af68c 100644 --- a/src/USER-MGPT/mgpt_linalg.h +++ b/src/USER-MGPT/mgpt_linalg.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul3_538.c.h b/src/USER-MGPT/mgpt_mmul3_538.c.h index f470590992..d615902214 100644 --- a/src/USER-MGPT/mgpt_mmul3_538.c.h +++ b/src/USER-MGPT/mgpt_mmul3_538.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul3_748.c.h b/src/USER-MGPT/mgpt_mmul3_748.c.h index 298fe753c1..f6104c52a7 100644 --- a/src/USER-MGPT/mgpt_mmul3_748.c.h +++ b/src/USER-MGPT/mgpt_mmul3_748.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul3d_526.c.h b/src/USER-MGPT/mgpt_mmul3d_526.c.h index 47a4c26a26..0a7e763f63 100644 --- a/src/USER-MGPT/mgpt_mmul3d_526.c.h +++ b/src/USER-MGPT/mgpt_mmul3d_526.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul3d_744.c.h b/src/USER-MGPT/mgpt_mmul3d_744.c.h index 0f90438440..cfbe1236c6 100644 --- a/src/USER-MGPT/mgpt_mmul3d_744.c.h +++ b/src/USER-MGPT/mgpt_mmul3d_744.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul_bg_552.c.h b/src/USER-MGPT/mgpt_mmul_bg_552.c.h index 16c6e9e4a8..069f96907f 100644 --- a/src/USER-MGPT/mgpt_mmul_bg_552.c.h +++ b/src/USER-MGPT/mgpt_mmul_bg_552.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul_bg_722.c.h b/src/USER-MGPT/mgpt_mmul_bg_722.c.h index e9821436e3..732bb1319a 100644 --- a/src/USER-MGPT/mgpt_mmul_bg_722.c.h +++ b/src/USER-MGPT/mgpt_mmul_bg_722.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul_bgq_n5_lda8_2x8.c.h b/src/USER-MGPT/mgpt_mmul_bgq_n5_lda8_2x8.c.h index 2e38b5b0cf..ce2fb5e159 100644 --- a/src/USER-MGPT/mgpt_mmul_bgq_n5_lda8_2x8.c.h +++ b/src/USER-MGPT/mgpt_mmul_bgq_n5_lda8_2x8.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_mmul_bgq_n7_lda8_4x8.c.h b/src/USER-MGPT/mgpt_mmul_bgq_n7_lda8_4x8.c.h index 26f36c4844..da7e850cac 100644 --- a/src/USER-MGPT/mgpt_mmul_bgq_n7_lda8_4x8.c.h +++ b/src/USER-MGPT/mgpt_mmul_bgq_n7_lda8_4x8.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_readpot.h b/src/USER-MGPT/mgpt_readpot.h index c2a6feabe0..11c2a1b4b0 100644 --- a/src/USER-MGPT/mgpt_readpot.h +++ b/src/USER-MGPT/mgpt_readpot.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_splinetab.h b/src/USER-MGPT/mgpt_splinetab.h index 05c9dbcafb..7458c1ecdd 100644 --- a/src/USER-MGPT/mgpt_splinetab.h +++ b/src/USER-MGPT/mgpt_splinetab.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_5022.c.h b/src/USER-MGPT/mgpt_ttr_5022.c.h index 2b697c6b84..c588d4925f 100644 --- a/src/USER-MGPT/mgpt_ttr_5022.c.h +++ b/src/USER-MGPT/mgpt_ttr_5022.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_5042.c.h b/src/USER-MGPT/mgpt_ttr_5042.c.h index 4d77a49c9d..f60ecb5fb1 100644 --- a/src/USER-MGPT/mgpt_ttr_5042.c.h +++ b/src/USER-MGPT/mgpt_ttr_5042.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_5123.c.h b/src/USER-MGPT/mgpt_ttr_5123.c.h index e8237f4eb2..ecab1d2c47 100644 --- a/src/USER-MGPT/mgpt_ttr_5123.c.h +++ b/src/USER-MGPT/mgpt_ttr_5123.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_5141.c.h b/src/USER-MGPT/mgpt_ttr_5141.c.h index d77c6935f3..0e3f04cdf4 100644 --- a/src/USER-MGPT/mgpt_ttr_5141.c.h +++ b/src/USER-MGPT/mgpt_ttr_5141.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_7022.c.h b/src/USER-MGPT/mgpt_ttr_7022.c.h index 99aeaec504..1e5e1cd94b 100644 --- a/src/USER-MGPT/mgpt_ttr_7022.c.h +++ b/src/USER-MGPT/mgpt_ttr_7022.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_7042.c.h b/src/USER-MGPT/mgpt_ttr_7042.c.h index 36ffe6714b..fb8cdb3123 100644 --- a/src/USER-MGPT/mgpt_ttr_7042.c.h +++ b/src/USER-MGPT/mgpt_ttr_7042.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_7123.c.h b/src/USER-MGPT/mgpt_ttr_7123.c.h index 39828ab481..60fa7eb5e3 100644 --- a/src/USER-MGPT/mgpt_ttr_7123.c.h +++ b/src/USER-MGPT/mgpt_ttr_7123.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/mgpt_ttr_7141.c.h b/src/USER-MGPT/mgpt_ttr_7141.c.h index 8309422333..2e61b34fe2 100644 --- a/src/USER-MGPT/mgpt_ttr_7141.c.h +++ b/src/USER-MGPT/mgpt_ttr_7141.c.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MGPT/pair_mgpt.h b/src/USER-MGPT/pair_mgpt.h index ff71edc9f3..f2f256ef80 100644 --- a/src/USER-MGPT/pair_mgpt.h +++ b/src/USER-MGPT/pair_mgpt.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_cosine_shift.h b/src/USER-MISC/angle_cosine_shift.h index febabcc090..f4dc1b02e7 100644 --- a/src/USER-MISC/angle_cosine_shift.h +++ b/src/USER-MISC/angle_cosine_shift.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_cosine_shift_exp.h b/src/USER-MISC/angle_cosine_shift_exp.h index 9614ddcc19..4a9ec15f95 100644 --- a/src/USER-MISC/angle_cosine_shift_exp.h +++ b/src/USER-MISC/angle_cosine_shift_exp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_dipole.h b/src/USER-MISC/angle_dipole.h index 187822d0d4..cc25c53b92 100644 --- a/src/USER-MISC/angle_dipole.h +++ b/src/USER-MISC/angle_dipole.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_fourier.h b/src/USER-MISC/angle_fourier.h index 53eeea98da..ea4c8b2852 100644 --- a/src/USER-MISC/angle_fourier.h +++ b/src/USER-MISC/angle_fourier.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_fourier_simple.h b/src/USER-MISC/angle_fourier_simple.h index df2253317f..734199939e 100644 --- a/src/USER-MISC/angle_fourier_simple.h +++ b/src/USER-MISC/angle_fourier_simple.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_gaussian.cpp b/src/USER-MISC/angle_gaussian.cpp index ad311fdb5d..639d753afa 100644 --- a/src/USER-MISC/angle_gaussian.cpp +++ b/src/USER-MISC/angle_gaussian.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_gaussian.h b/src/USER-MISC/angle_gaussian.h index cd97d62670..af2b097aee 100644 --- a/src/USER-MISC/angle_gaussian.h +++ b/src/USER-MISC/angle_gaussian.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/angle_quartic.h b/src/USER-MISC/angle_quartic.h index b916a5f89f..8b11b56488 100644 --- a/src/USER-MISC/angle_quartic.h +++ b/src/USER-MISC/angle_quartic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/bond_gaussian.cpp b/src/USER-MISC/bond_gaussian.cpp index e6460d808e..98c5086c2d 100644 --- a/src/USER-MISC/bond_gaussian.cpp +++ b/src/USER-MISC/bond_gaussian.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/bond_gaussian.h b/src/USER-MISC/bond_gaussian.h index 6fb587ff2b..98cbf171de 100644 --- a/src/USER-MISC/bond_gaussian.h +++ b/src/USER-MISC/bond_gaussian.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/bond_harmonic_shift.h b/src/USER-MISC/bond_harmonic_shift.h index b77cefb4af..4375e3787a 100644 --- a/src/USER-MISC/bond_harmonic_shift.h +++ b/src/USER-MISC/bond_harmonic_shift.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/bond_harmonic_shift_cut.h b/src/USER-MISC/bond_harmonic_shift_cut.h index ad2bcd61ad..0d13305f0b 100644 --- a/src/USER-MISC/bond_harmonic_shift_cut.h +++ b/src/USER-MISC/bond_harmonic_shift_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/bond_special.h b/src/USER-MISC/bond_special.h index d5e360ca53..e1807a29da 100644 --- a/src/USER-MISC/bond_special.h +++ b/src/USER-MISC/bond_special.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_ackland_atom.h b/src/USER-MISC/compute_ackland_atom.h index dd70762627..0b2c0f98f1 100644 --- a/src/USER-MISC/compute_ackland_atom.h +++ b/src/USER-MISC/compute_ackland_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_basal_atom.h b/src/USER-MISC/compute_basal_atom.h index 4d478cdd24..89e0ac739b 100644 --- a/src/USER-MISC/compute_basal_atom.h +++ b/src/USER-MISC/compute_basal_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_cnp_atom.h b/src/USER-MISC/compute_cnp_atom.h index 4fdb3954f2..f90b09ff35 100644 --- a/src/USER-MISC/compute_cnp_atom.h +++ b/src/USER-MISC/compute_cnp_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_entropy_atom.h b/src/USER-MISC/compute_entropy_atom.h index c09a6e791c..d11fcc850a 100644 --- a/src/USER-MISC/compute_entropy_atom.h +++ b/src/USER-MISC/compute_entropy_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_gyration_shape.h b/src/USER-MISC/compute_gyration_shape.h index 1d58f000dd..92871a5827 100644 --- a/src/USER-MISC/compute_gyration_shape.h +++ b/src/USER-MISC/compute_gyration_shape.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_gyration_shape_chunk.h b/src/USER-MISC/compute_gyration_shape_chunk.h index 1ce4b9f758..53800887f4 100644 --- a/src/USER-MISC/compute_gyration_shape_chunk.h +++ b/src/USER-MISC/compute_gyration_shape_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_hma.h b/src/USER-MISC/compute_hma.h index 5fc1130c8b..bc504fd5f5 100644 --- a/src/USER-MISC/compute_hma.h +++ b/src/USER-MISC/compute_hma.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_pressure_cylinder.h b/src/USER-MISC/compute_pressure_cylinder.h index 7151cca6ce..c633d196b1 100644 --- a/src/USER-MISC/compute_pressure_cylinder.h +++ b/src/USER-MISC/compute_pressure_cylinder.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_pressure_grem.h b/src/USER-MISC/compute_pressure_grem.h index e6dc5e6839..11bcceb2a6 100644 --- a/src/USER-MISC/compute_pressure_grem.h +++ b/src/USER-MISC/compute_pressure_grem.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_stress_mop.h b/src/USER-MISC/compute_stress_mop.h index 07bb774148..55e17b9e05 100644 --- a/src/USER-MISC/compute_stress_mop.h +++ b/src/USER-MISC/compute_stress_mop.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_stress_mop_profile.h b/src/USER-MISC/compute_stress_mop_profile.h index d86237b0bd..809c60ea0a 100644 --- a/src/USER-MISC/compute_stress_mop_profile.h +++ b/src/USER-MISC/compute_stress_mop_profile.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_temp_rotate.h b/src/USER-MISC/compute_temp_rotate.h index 9590366b15..b48374b81c 100644 --- a/src/USER-MISC/compute_temp_rotate.h +++ b/src/USER-MISC/compute_temp_rotate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/compute_viscosity_cos.h b/src/USER-MISC/compute_viscosity_cos.h index 7bc27a9541..4a1a03425e 100644 --- a/src/USER-MISC/compute_viscosity_cos.h +++ b/src/USER-MISC/compute_viscosity_cos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_cosine_shift_exp.h b/src/USER-MISC/dihedral_cosine_shift_exp.h index 4d180f42de..6735624991 100644 --- a/src/USER-MISC/dihedral_cosine_shift_exp.h +++ b/src/USER-MISC/dihedral_cosine_shift_exp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_fourier.h b/src/USER-MISC/dihedral_fourier.h index 8b6291fc4c..93bb517568 100644 --- a/src/USER-MISC/dihedral_fourier.h +++ b/src/USER-MISC/dihedral_fourier.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_nharmonic.h b/src/USER-MISC/dihedral_nharmonic.h index 6fd1da3b8b..91bcae3e50 100644 --- a/src/USER-MISC/dihedral_nharmonic.h +++ b/src/USER-MISC/dihedral_nharmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_quadratic.h b/src/USER-MISC/dihedral_quadratic.h index 0b99cbc4f7..3bd8b0470f 100644 --- a/src/USER-MISC/dihedral_quadratic.h +++ b/src/USER-MISC/dihedral_quadratic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_spherical.h b/src/USER-MISC/dihedral_spherical.h index 472db36f33..23f869f78c 100644 --- a/src/USER-MISC/dihedral_spherical.h +++ b/src/USER-MISC/dihedral_spherical.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_table.h b/src/USER-MISC/dihedral_table.h index 9d5b03f5cc..0f63205fbc 100644 --- a/src/USER-MISC/dihedral_table.h +++ b/src/USER-MISC/dihedral_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/dihedral_table_cut.h b/src/USER-MISC/dihedral_table_cut.h index b956069e14..bff2472323 100644 --- a/src/USER-MISC/dihedral_table_cut.h +++ b/src/USER-MISC/dihedral_table_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_accelerate_cos.h b/src/USER-MISC/fix_accelerate_cos.h index e1e6c9f1b9..2f17eceded 100644 --- a/src/USER-MISC/fix_accelerate_cos.h +++ b/src/USER-MISC/fix_accelerate_cos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_addtorque.h b/src/USER-MISC/fix_addtorque.h index 49631ec916..62b77b52ae 100644 --- a/src/USER-MISC/fix_addtorque.h +++ b/src/USER-MISC/fix_addtorque.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_ave_correlate_long.h b/src/USER-MISC/fix_ave_correlate_long.h index a0c5863e99..bc7897cddd 100644 --- a/src/USER-MISC/fix_ave_correlate_long.h +++ b/src/USER-MISC/fix_ave_correlate_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_electron_stopping.h b/src/USER-MISC/fix_electron_stopping.h index f0f47698c6..968f7e6368 100644 --- a/src/USER-MISC/fix_electron_stopping.h +++ b/src/USER-MISC/fix_electron_stopping.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_electron_stopping_fit.cpp b/src/USER-MISC/fix_electron_stopping_fit.cpp index 8768ed5f3d..b36984f3df 100644 --- a/src/USER-MISC/fix_electron_stopping_fit.cpp +++ b/src/USER-MISC/fix_electron_stopping_fit.cpp @@ -1,6 +1,6 @@ /* --------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_electron_stopping_fit.h b/src/USER-MISC/fix_electron_stopping_fit.h index b40d6a3293..fa95c96483 100644 --- a/src/USER-MISC/fix_electron_stopping_fit.h +++ b/src/USER-MISC/fix_electron_stopping_fit.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_ffl.h b/src/USER-MISC/fix_ffl.h index 1225d25989..24f5405e3f 100644 --- a/src/USER-MISC/fix_ffl.h +++ b/src/USER-MISC/fix_ffl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_filter_corotate.h b/src/USER-MISC/fix_filter_corotate.h index 7693feb94c..4819c00b8b 100644 --- a/src/USER-MISC/fix_filter_corotate.h +++ b/src/USER-MISC/fix_filter_corotate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_flow_gauss.h b/src/USER-MISC/fix_flow_gauss.h index 75bdf8c1f9..84b647d484 100644 --- a/src/USER-MISC/fix_flow_gauss.h +++ b/src/USER-MISC/fix_flow_gauss.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_gle.h b/src/USER-MISC/fix_gle.h index 01f50f8925..39ea35a37b 100644 --- a/src/USER-MISC/fix_gle.h +++ b/src/USER-MISC/fix_gle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_grem.h b/src/USER-MISC/fix_grem.h index 1899bf6fc2..0cd88477ea 100644 --- a/src/USER-MISC/fix_grem.h +++ b/src/USER-MISC/fix_grem.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_imd.h b/src/USER-MISC/fix_imd.h index a2f955b12d..3019c0908c 100644 --- a/src/USER-MISC/fix_imd.h +++ b/src/USER-MISC/fix_imd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_ipi.h b/src/USER-MISC/fix_ipi.h index 191b6c280d..32f81e596f 100644 --- a/src/USER-MISC/fix_ipi.h +++ b/src/USER-MISC/fix_ipi.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_momentum_chunk.h b/src/USER-MISC/fix_momentum_chunk.h index 5007e38c69..84ce3824c3 100644 --- a/src/USER-MISC/fix_momentum_chunk.h +++ b/src/USER-MISC/fix_momentum_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_npt_cauchy.h b/src/USER-MISC/fix_npt_cauchy.h index 052a5686ad..4842e59af8 100644 --- a/src/USER-MISC/fix_npt_cauchy.h +++ b/src/USER-MISC/fix_npt_cauchy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_nvk.h b/src/USER-MISC/fix_nvk.h index 1d73e2f5df..63113342cd 100644 --- a/src/USER-MISC/fix_nvk.h +++ b/src/USER-MISC/fix_nvk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_orient_eco.h b/src/USER-MISC/fix_orient_eco.h index 9ae48be1f3..4c241fc8ea 100644 --- a/src/USER-MISC/fix_orient_eco.h +++ b/src/USER-MISC/fix_orient_eco.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_pafi.h b/src/USER-MISC/fix_pafi.h index dd272601e6..b71483f50e 100644 --- a/src/USER-MISC/fix_pafi.h +++ b/src/USER-MISC/fix_pafi.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_pimd.h b/src/USER-MISC/fix_pimd.h index bed5b0a256..5782246c76 100644 --- a/src/USER-MISC/fix_pimd.h +++ b/src/USER-MISC/fix_pimd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_propel_self.h b/src/USER-MISC/fix_propel_self.h index 47d1e1255b..968dd3af57 100644 --- a/src/USER-MISC/fix_propel_self.h +++ b/src/USER-MISC/fix_propel_self.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_rhok.h b/src/USER-MISC/fix_rhok.h index c950c08b1d..74e2f1031c 100644 --- a/src/USER-MISC/fix_rhok.h +++ b/src/USER-MISC/fix_rhok.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains diff --git a/src/USER-MISC/fix_smd.h b/src/USER-MISC/fix_smd.h index 4f86456f99..bb84d03f27 100644 --- a/src/USER-MISC/fix_smd.h +++ b/src/USER-MISC/fix_smd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_srp.h b/src/USER-MISC/fix_srp.h index f8343df8a6..f045f498c3 100644 --- a/src/USER-MISC/fix_srp.h +++ b/src/USER-MISC/fix_srp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_ti_spring.h b/src/USER-MISC/fix_ti_spring.h index 6379e9e039..96ed1bf042 100644 --- a/src/USER-MISC/fix_ti_spring.h +++ b/src/USER-MISC/fix_ti_spring.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_ttm_mod.h b/src/USER-MISC/fix_ttm_mod.h index 84d976ec07..e22e94ad49 100644 --- a/src/USER-MISC/fix_ttm_mod.h +++ b/src/USER-MISC/fix_ttm_mod.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_wall_ees.h b/src/USER-MISC/fix_wall_ees.h index 17246c094f..0e5050a53e 100644 --- a/src/USER-MISC/fix_wall_ees.h +++ b/src/USER-MISC/fix_wall_ees.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_wall_reflect_stochastic.h b/src/USER-MISC/fix_wall_reflect_stochastic.h index 558ad7d084..db818318af 100644 --- a/src/USER-MISC/fix_wall_reflect_stochastic.h +++ b/src/USER-MISC/fix_wall_reflect_stochastic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/fix_wall_region_ees.h b/src/USER-MISC/fix_wall_region_ees.h index 9da2cccce6..9c8e988937 100644 --- a/src/USER-MISC/fix_wall_region_ees.h +++ b/src/USER-MISC/fix_wall_region_ees.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/improper_cossq.h b/src/USER-MISC/improper_cossq.h index 9e430bfa1a..1245c6fc20 100644 --- a/src/USER-MISC/improper_cossq.h +++ b/src/USER-MISC/improper_cossq.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/improper_distance.h b/src/USER-MISC/improper_distance.h index d7575c3585..540671463b 100644 --- a/src/USER-MISC/improper_distance.h +++ b/src/USER-MISC/improper_distance.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/improper_fourier.h b/src/USER-MISC/improper_fourier.h index 91dfacfd8e..c9ed9ac406 100644 --- a/src/USER-MISC/improper_fourier.h +++ b/src/USER-MISC/improper_fourier.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/improper_ring.h b/src/USER-MISC/improper_ring.h index 7c53c6f59f..295a189066 100644 --- a/src/USER-MISC/improper_ring.h +++ b/src/USER-MISC/improper_ring.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_agni.h b/src/USER-MISC/pair_agni.h index 0a33c11b95..c687c5ad93 100644 --- a/src/USER-MISC/pair_agni.h +++ b/src/USER-MISC/pair_agni.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_buck_mdf.h b/src/USER-MISC/pair_buck_mdf.h index 4f9bac6341..7eda523999 100644 --- a/src/USER-MISC/pair_buck_mdf.h +++ b/src/USER-MISC/pair_buck_mdf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_cosine_squared.h b/src/USER-MISC/pair_cosine_squared.h index a638270e68..4a7470912c 100644 --- a/src/USER-MISC/pair_cosine_squared.h +++ b/src/USER-MISC/pair_cosine_squared.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_coul_diel.h b/src/USER-MISC/pair_coul_diel.h index 2113e45680..68804c7c90 100644 --- a/src/USER-MISC/pair_coul_diel.h +++ b/src/USER-MISC/pair_coul_diel.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_coul_shield.h b/src/USER-MISC/pair_coul_shield.h index d2cc3c3e84..066d670f25 100644 --- a/src/USER-MISC/pair_coul_shield.h +++ b/src/USER-MISC/pair_coul_shield.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_coul_slater_cut.h b/src/USER-MISC/pair_coul_slater_cut.h index fbf5f61f0f..c0854d47ed 100644 --- a/src/USER-MISC/pair_coul_slater_cut.h +++ b/src/USER-MISC/pair_coul_slater_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_coul_slater_long.h b/src/USER-MISC/pair_coul_slater_long.h index 267a10862e..5f71f6b1c2 100644 --- a/src/USER-MISC/pair_coul_slater_long.h +++ b/src/USER-MISC/pair_coul_slater_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_drip.h b/src/USER-MISC/pair_drip.h index 59dac076c8..ea783e3398 100644 --- a/src/USER-MISC/pair_drip.h +++ b/src/USER-MISC/pair_drip.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_e3b.h b/src/USER-MISC/pair_e3b.h index b37eee57f6..d8fa31b6b3 100644 --- a/src/USER-MISC/pair_e3b.h +++ b/src/USER-MISC/pair_e3b.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_edip.h b/src/USER-MISC/pair_edip.h index 006c124229..3588c609a8 100644 --- a/src/USER-MISC/pair_edip.h +++ b/src/USER-MISC/pair_edip.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_edip_multi.h b/src/USER-MISC/pair_edip_multi.h index 2aba064aa9..eebc174630 100644 --- a/src/USER-MISC/pair_edip_multi.h +++ b/src/USER-MISC/pair_edip_multi.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_extep.h b/src/USER-MISC/pair_extep.h index 08ee6d9a82..eb6ff8f025 100644 --- a/src/USER-MISC/pair_extep.h +++ b/src/USER-MISC/pair_extep.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_gauss_cut.h b/src/USER-MISC/pair_gauss_cut.h index 9173f83bc0..360a084945 100644 --- a/src/USER-MISC/pair_gauss_cut.h +++ b/src/USER-MISC/pair_gauss_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_ilp_graphene_hbn.h b/src/USER-MISC/pair_ilp_graphene_hbn.h index 4f5e187782..8f62354fe1 100644 --- a/src/USER-MISC/pair_ilp_graphene_hbn.h +++ b/src/USER-MISC/pair_ilp_graphene_hbn.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.h b/src/USER-MISC/pair_kolmogorov_crespi_full.h index dd2721d37e..7e67f1460f 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_full.h +++ b/src/USER-MISC/pair_kolmogorov_crespi_full.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_kolmogorov_crespi_z.h b/src/USER-MISC/pair_kolmogorov_crespi_z.h index 7d242d67fd..e8574411bf 100644 --- a/src/USER-MISC/pair_kolmogorov_crespi_z.h +++ b/src/USER-MISC/pair_kolmogorov_crespi_z.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_lebedeva_z.h b/src/USER-MISC/pair_lebedeva_z.h index 57cf445889..c7c99ef78c 100644 --- a/src/USER-MISC/pair_lebedeva_z.h +++ b/src/USER-MISC/pair_lebedeva_z.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_lennard_mdf.h b/src/USER-MISC/pair_lennard_mdf.h index 19325429ea..3a56ceb04a 100644 --- a/src/USER-MISC/pair_lennard_mdf.h +++ b/src/USER-MISC/pair_lennard_mdf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_list.h b/src/USER-MISC/pair_list.h index 4802194158..73284f5a36 100644 --- a/src/USER-MISC/pair_list.h +++ b/src/USER-MISC/pair_list.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_lj_expand_coul_long.h b/src/USER-MISC/pair_lj_expand_coul_long.h index d88acb99b7..41ccd4f357 100644 --- a/src/USER-MISC/pair_lj_expand_coul_long.h +++ b/src/USER-MISC/pair_lj_expand_coul_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_lj_mdf.h b/src/USER-MISC/pair_lj_mdf.h index 6ce6fdda2c..34e33e16d4 100644 --- a/src/USER-MISC/pair_lj_mdf.h +++ b/src/USER-MISC/pair_lj_mdf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.h b/src/USER-MISC/pair_lj_sf_dipole_sf.h index 76cc058e69..1c3ec982f9 100644 --- a/src/USER-MISC/pair_lj_sf_dipole_sf.h +++ b/src/USER-MISC/pair_lj_sf_dipole_sf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_local_density.h b/src/USER-MISC/pair_local_density.h index e999352680..339d04c963 100644 --- a/src/USER-MISC/pair_local_density.h +++ b/src/USER-MISC/pair_local_density.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_meam_spline.h b/src/USER-MISC/pair_meam_spline.h index b20454f18d..533db2e8ab 100644 --- a/src/USER-MISC/pair_meam_spline.h +++ b/src/USER-MISC/pair_meam_spline.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_meam_sw_spline.h b/src/USER-MISC/pair_meam_sw_spline.h index ecf56c7931..7046c504fe 100644 --- a/src/USER-MISC/pair_meam_sw_spline.h +++ b/src/USER-MISC/pair_meam_sw_spline.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_momb.h b/src/USER-MISC/pair_momb.h index 5c66ff7273..50962130be 100644 --- a/src/USER-MISC/pair_momb.h +++ b/src/USER-MISC/pair_momb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_morse_smooth_linear.h b/src/USER-MISC/pair_morse_smooth_linear.h index cf47985479..83d2287421 100644 --- a/src/USER-MISC/pair_morse_smooth_linear.h +++ b/src/USER-MISC/pair_morse_smooth_linear.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_srp.h b/src/USER-MISC/pair_srp.h index 95cc5a5c94..1719dbed10 100644 --- a/src/USER-MISC/pair_srp.h +++ b/src/USER-MISC/pair_srp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_tersoff_table.h b/src/USER-MISC/pair_tersoff_table.h index 84e6f6fe50..cf1f44a745 100644 --- a/src/USER-MISC/pair_tersoff_table.h +++ b/src/USER-MISC/pair_tersoff_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_wf_cut.cpp b/src/USER-MISC/pair_wf_cut.cpp index e62217aad1..d421049cec 100644 --- a/src/USER-MISC/pair_wf_cut.cpp +++ b/src/USER-MISC/pair_wf_cut.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/pair_wf_cut.h b/src/USER-MISC/pair_wf_cut.h index d69efdf006..bbad8caf9c 100644 --- a/src/USER-MISC/pair_wf_cut.h +++ b/src/USER-MISC/pair_wf_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/temper_grem.h b/src/USER-MISC/temper_grem.h index 3c1891f22d..1bdd920233 100644 --- a/src/USER-MISC/temper_grem.h +++ b/src/USER-MISC/temper_grem.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MISC/temper_npt.h b/src/USER-MISC/temper_npt.h index a0eb1c1e9b..1c345cae12 100644 --- a/src/USER-MISC/temper_npt.h +++ b/src/USER-MISC/temper_npt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOFFF/angle_class2_p6.h b/src/USER-MOFFF/angle_class2_p6.h index f2f324c0c6..caea234eeb 100644 --- a/src/USER-MOFFF/angle_class2_p6.h +++ b/src/USER-MOFFF/angle_class2_p6.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOFFF/angle_cosine_buck6d.h b/src/USER-MOFFF/angle_cosine_buck6d.h index 1d0df10228..467abfb56a 100644 --- a/src/USER-MOFFF/angle_cosine_buck6d.h +++ b/src/USER-MOFFF/angle_cosine_buck6d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOFFF/improper_inversion_harmonic.h b/src/USER-MOFFF/improper_inversion_harmonic.h index 206b40aebf..cff0c14d92 100644 --- a/src/USER-MOFFF/improper_inversion_harmonic.h +++ b/src/USER-MOFFF/improper_inversion_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.h b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.h index 65acc400de..7fb22094d7 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.h +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_dsf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.h b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.h index 0cfd45b69b..c814143cc4 100644 --- a/src/USER-MOFFF/pair_buck6d_coul_gauss_long.h +++ b/src/USER-MOFFF/pair_buck6d_coul_gauss_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOLFILE/dump_molfile.h b/src/USER-MOLFILE/dump_molfile.h index f07416cffa..f55c2f0762 100644 --- a/src/USER-MOLFILE/dump_molfile.h +++ b/src/USER-MOLFILE/dump_molfile.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOLFILE/molfile_interface.h b/src/USER-MOLFILE/molfile_interface.h index 1146fb8251..8ac0f35bbf 100644 --- a/src/USER-MOLFILE/molfile_interface.h +++ b/src/USER-MOLFILE/molfile_interface.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-MOLFILE/reader_molfile.h b/src/USER-MOLFILE/reader_molfile.h index a56a4e0b96..d02f3e7986 100644 --- a/src/USER-MOLFILE/reader_molfile.h +++ b/src/USER-MOLFILE/reader_molfile.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-NETCDF/dump_netcdf.h b/src/USER-NETCDF/dump_netcdf.h index f74e95be38..a996ffc847 100644 --- a/src/USER-NETCDF/dump_netcdf.h +++ b/src/USER-NETCDF/dump_netcdf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-NETCDF/dump_netcdf_mpiio.h b/src/USER-NETCDF/dump_netcdf_mpiio.h index 98ccb87927..2d1cd3ca2b 100644 --- a/src/USER-NETCDF/dump_netcdf_mpiio.h +++ b/src/USER-NETCDF/dump_netcdf_mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_charmm_omp.h b/src/USER-OMP/angle_charmm_omp.h index 8cbb992c3b..a96d62cad4 100644 --- a/src/USER-OMP/angle_charmm_omp.h +++ b/src/USER-OMP/angle_charmm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_class2_omp.h b/src/USER-OMP/angle_class2_omp.h index fcfdae51a7..1f06e2bf06 100644 --- a/src/USER-OMP/angle_class2_omp.h +++ b/src/USER-OMP/angle_class2_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_delta_omp.h b/src/USER-OMP/angle_cosine_delta_omp.h index 57b1d9364d..3dbafe2682 100644 --- a/src/USER-OMP/angle_cosine_delta_omp.h +++ b/src/USER-OMP/angle_cosine_delta_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_omp.h b/src/USER-OMP/angle_cosine_omp.h index 16eb3ff944..cb7468a1f9 100644 --- a/src/USER-OMP/angle_cosine_omp.h +++ b/src/USER-OMP/angle_cosine_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_periodic_omp.h b/src/USER-OMP/angle_cosine_periodic_omp.h index 3c7da10ceb..db4a683141 100644 --- a/src/USER-OMP/angle_cosine_periodic_omp.h +++ b/src/USER-OMP/angle_cosine_periodic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_shift_exp_omp.h b/src/USER-OMP/angle_cosine_shift_exp_omp.h index aba70f8a3c..4a42872b1e 100644 --- a/src/USER-OMP/angle_cosine_shift_exp_omp.h +++ b/src/USER-OMP/angle_cosine_shift_exp_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_shift_omp.h b/src/USER-OMP/angle_cosine_shift_omp.h index 09402fb341..25b6234c52 100644 --- a/src/USER-OMP/angle_cosine_shift_omp.h +++ b/src/USER-OMP/angle_cosine_shift_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_cosine_squared_omp.h b/src/USER-OMP/angle_cosine_squared_omp.h index 758863e612..4fcd360125 100644 --- a/src/USER-OMP/angle_cosine_squared_omp.h +++ b/src/USER-OMP/angle_cosine_squared_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_dipole_omp.h b/src/USER-OMP/angle_dipole_omp.h index ab7133da34..b8c4067e0b 100644 --- a/src/USER-OMP/angle_dipole_omp.h +++ b/src/USER-OMP/angle_dipole_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_fourier_omp.h b/src/USER-OMP/angle_fourier_omp.h index 0185d09526..b273e01207 100644 --- a/src/USER-OMP/angle_fourier_omp.h +++ b/src/USER-OMP/angle_fourier_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_fourier_simple_omp.h b/src/USER-OMP/angle_fourier_simple_omp.h index 4ff0ce154f..68710a8b95 100644 --- a/src/USER-OMP/angle_fourier_simple_omp.h +++ b/src/USER-OMP/angle_fourier_simple_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_harmonic_omp.h b/src/USER-OMP/angle_harmonic_omp.h index 80c8f491aa..b617a0e5b6 100644 --- a/src/USER-OMP/angle_harmonic_omp.h +++ b/src/USER-OMP/angle_harmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_quartic_omp.h b/src/USER-OMP/angle_quartic_omp.h index 72f8ffd821..7bb85d6277 100644 --- a/src/USER-OMP/angle_quartic_omp.h +++ b/src/USER-OMP/angle_quartic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_sdk_omp.h b/src/USER-OMP/angle_sdk_omp.h index c041c2ecc2..7bed2d6878 100644 --- a/src/USER-OMP/angle_sdk_omp.h +++ b/src/USER-OMP/angle_sdk_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/angle_table_omp.h b/src/USER-OMP/angle_table_omp.h index 97c9bb65a7..84d5ded7d9 100644 --- a/src/USER-OMP/angle_table_omp.h +++ b/src/USER-OMP/angle_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_class2_omp.h b/src/USER-OMP/bond_class2_omp.h index 845e28f592..e65d5006dd 100644 --- a/src/USER-OMP/bond_class2_omp.h +++ b/src/USER-OMP/bond_class2_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_fene_expand_omp.h b/src/USER-OMP/bond_fene_expand_omp.h index 317b81e5de..4323dea61e 100644 --- a/src/USER-OMP/bond_fene_expand_omp.h +++ b/src/USER-OMP/bond_fene_expand_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_fene_omp.h b/src/USER-OMP/bond_fene_omp.h index 13e843fe13..432321db9b 100644 --- a/src/USER-OMP/bond_fene_omp.h +++ b/src/USER-OMP/bond_fene_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_gromos_omp.h b/src/USER-OMP/bond_gromos_omp.h index 69e92e4295..be7280d279 100644 --- a/src/USER-OMP/bond_gromos_omp.h +++ b/src/USER-OMP/bond_gromos_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_harmonic_omp.h b/src/USER-OMP/bond_harmonic_omp.h index 0a81b52f41..77fa490e5f 100644 --- a/src/USER-OMP/bond_harmonic_omp.h +++ b/src/USER-OMP/bond_harmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_harmonic_shift_cut_omp.h b/src/USER-OMP/bond_harmonic_shift_cut_omp.h index f465ff5b3a..2220b683fc 100644 --- a/src/USER-OMP/bond_harmonic_shift_cut_omp.h +++ b/src/USER-OMP/bond_harmonic_shift_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_harmonic_shift_omp.h b/src/USER-OMP/bond_harmonic_shift_omp.h index 58ee6ce23d..e614ebfbc0 100644 --- a/src/USER-OMP/bond_harmonic_shift_omp.h +++ b/src/USER-OMP/bond_harmonic_shift_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_morse_omp.h b/src/USER-OMP/bond_morse_omp.h index 09d3a4458d..ac90359c7e 100644 --- a/src/USER-OMP/bond_morse_omp.h +++ b/src/USER-OMP/bond_morse_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_nonlinear_omp.h b/src/USER-OMP/bond_nonlinear_omp.h index fcb0fa325d..0f27990729 100644 --- a/src/USER-OMP/bond_nonlinear_omp.h +++ b/src/USER-OMP/bond_nonlinear_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_quartic_omp.h b/src/USER-OMP/bond_quartic_omp.h index 3a249a6cac..2d538b5a7b 100644 --- a/src/USER-OMP/bond_quartic_omp.h +++ b/src/USER-OMP/bond_quartic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/bond_table_omp.h b/src/USER-OMP/bond_table_omp.h index 37e057ee26..4c9e7dc29f 100644 --- a/src/USER-OMP/bond_table_omp.h +++ b/src/USER-OMP/bond_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_charmm_omp.h b/src/USER-OMP/dihedral_charmm_omp.h index cd0ae5f8ea..0164a00083 100644 --- a/src/USER-OMP/dihedral_charmm_omp.h +++ b/src/USER-OMP/dihedral_charmm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_class2_omp.h b/src/USER-OMP/dihedral_class2_omp.h index 889bbaf920..5f332ec372 100644 --- a/src/USER-OMP/dihedral_class2_omp.h +++ b/src/USER-OMP/dihedral_class2_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_cosine_shift_exp_omp.h b/src/USER-OMP/dihedral_cosine_shift_exp_omp.h index 7e1accebf1..226a23c99f 100644 --- a/src/USER-OMP/dihedral_cosine_shift_exp_omp.h +++ b/src/USER-OMP/dihedral_cosine_shift_exp_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_fourier_omp.h b/src/USER-OMP/dihedral_fourier_omp.h index 1ae49e0167..34d1a1ca53 100644 --- a/src/USER-OMP/dihedral_fourier_omp.h +++ b/src/USER-OMP/dihedral_fourier_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_harmonic_omp.h b/src/USER-OMP/dihedral_harmonic_omp.h index b55bf015f2..7b8390352f 100644 --- a/src/USER-OMP/dihedral_harmonic_omp.h +++ b/src/USER-OMP/dihedral_harmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_helix_omp.h b/src/USER-OMP/dihedral_helix_omp.h index 24f16c4d7e..589971eed2 100644 --- a/src/USER-OMP/dihedral_helix_omp.h +++ b/src/USER-OMP/dihedral_helix_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_multi_harmonic_omp.h b/src/USER-OMP/dihedral_multi_harmonic_omp.h index c6b80237a5..d4893c336c 100644 --- a/src/USER-OMP/dihedral_multi_harmonic_omp.h +++ b/src/USER-OMP/dihedral_multi_harmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_nharmonic_omp.h b/src/USER-OMP/dihedral_nharmonic_omp.h index 7d9daeab97..74c2d031cf 100644 --- a/src/USER-OMP/dihedral_nharmonic_omp.h +++ b/src/USER-OMP/dihedral_nharmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_opls_omp.h b/src/USER-OMP/dihedral_opls_omp.h index fbb5455f9c..4ac8efeb50 100644 --- a/src/USER-OMP/dihedral_opls_omp.h +++ b/src/USER-OMP/dihedral_opls_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_quadratic_omp.h b/src/USER-OMP/dihedral_quadratic_omp.h index 7be6cbd8cb..73420ed7d2 100644 --- a/src/USER-OMP/dihedral_quadratic_omp.h +++ b/src/USER-OMP/dihedral_quadratic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/dihedral_table_omp.h b/src/USER-OMP/dihedral_table_omp.h index fadb57ed1d..5c66e0f1c5 100644 --- a/src/USER-OMP/dihedral_table_omp.h +++ b/src/USER-OMP/dihedral_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/ewald_omp.h b/src/USER-OMP/ewald_omp.h index e3c779d786..1dcba93921 100644 --- a/src/USER-OMP/ewald_omp.h +++ b/src/USER-OMP/ewald_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_gravity_omp.h b/src/USER-OMP/fix_gravity_omp.h index 6bd1c64d99..d7a4db1211 100644 --- a/src/USER-OMP/fix_gravity_omp.h +++ b/src/USER-OMP/fix_gravity_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_neigh_history_omp.h b/src/USER-OMP/fix_neigh_history_omp.h index 9cd97ce3da..2bdb1b8dd1 100644 --- a/src/USER-OMP/fix_neigh_history_omp.h +++ b/src/USER-OMP/fix_neigh_history_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nh_asphere_omp.h b/src/USER-OMP/fix_nh_asphere_omp.h index 0bfa72354e..3a6b40f334 100644 --- a/src/USER-OMP/fix_nh_asphere_omp.h +++ b/src/USER-OMP/fix_nh_asphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nh_omp.h b/src/USER-OMP/fix_nh_omp.h index b3bdaa3683..bc5c748111 100644 --- a/src/USER-OMP/fix_nh_omp.h +++ b/src/USER-OMP/fix_nh_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nh_sphere_omp.h b/src/USER-OMP/fix_nh_sphere_omp.h index bd12f9a174..f3f961e295 100644 --- a/src/USER-OMP/fix_nh_sphere_omp.h +++ b/src/USER-OMP/fix_nh_sphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nph_asphere_omp.h b/src/USER-OMP/fix_nph_asphere_omp.h index 11de1948f4..874b15ff36 100644 --- a/src/USER-OMP/fix_nph_asphere_omp.h +++ b/src/USER-OMP/fix_nph_asphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nph_omp.h b/src/USER-OMP/fix_nph_omp.h index 13f425c03b..3522ae831f 100644 --- a/src/USER-OMP/fix_nph_omp.h +++ b/src/USER-OMP/fix_nph_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nph_sphere_omp.h b/src/USER-OMP/fix_nph_sphere_omp.h index 248423fd23..d3ada129c4 100644 --- a/src/USER-OMP/fix_nph_sphere_omp.h +++ b/src/USER-OMP/fix_nph_sphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_npt_asphere_omp.h b/src/USER-OMP/fix_npt_asphere_omp.h index 633c0b6d31..ca88944f2f 100644 --- a/src/USER-OMP/fix_npt_asphere_omp.h +++ b/src/USER-OMP/fix_npt_asphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_npt_omp.h b/src/USER-OMP/fix_npt_omp.h index 72c7662342..45a81282f1 100644 --- a/src/USER-OMP/fix_npt_omp.h +++ b/src/USER-OMP/fix_npt_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_npt_sphere_omp.h b/src/USER-OMP/fix_npt_sphere_omp.h index 074e55e46b..790e166993 100644 --- a/src/USER-OMP/fix_npt_sphere_omp.h +++ b/src/USER-OMP/fix_npt_sphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nve_omp.h b/src/USER-OMP/fix_nve_omp.h index 5154116cac..6be58073b5 100644 --- a/src/USER-OMP/fix_nve_omp.h +++ b/src/USER-OMP/fix_nve_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nve_sphere_omp.h b/src/USER-OMP/fix_nve_sphere_omp.h index 95cb4cf0af..a8454f7187 100644 --- a/src/USER-OMP/fix_nve_sphere_omp.h +++ b/src/USER-OMP/fix_nve_sphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nvt_asphere_omp.h b/src/USER-OMP/fix_nvt_asphere_omp.h index e4062f6aff..55a36b2096 100644 --- a/src/USER-OMP/fix_nvt_asphere_omp.h +++ b/src/USER-OMP/fix_nvt_asphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nvt_omp.h b/src/USER-OMP/fix_nvt_omp.h index 89d6f023ac..f931419459 100644 --- a/src/USER-OMP/fix_nvt_omp.h +++ b/src/USER-OMP/fix_nvt_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_nvt_sphere_omp.h b/src/USER-OMP/fix_nvt_sphere_omp.h index 9b5c4759e9..eb42ef1f8c 100644 --- a/src/USER-OMP/fix_nvt_sphere_omp.h +++ b/src/USER-OMP/fix_nvt_sphere_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_omp.h b/src/USER-OMP/fix_omp.h index 3020a927fd..3f8ea27ae9 100644 --- a/src/USER-OMP/fix_omp.h +++ b/src/USER-OMP/fix_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_peri_neigh_omp.h b/src/USER-OMP/fix_peri_neigh_omp.h index 77cc35777a..d0c144beb7 100644 --- a/src/USER-OMP/fix_peri_neigh_omp.h +++ b/src/USER-OMP/fix_peri_neigh_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_qeq_comb_omp.h b/src/USER-OMP/fix_qeq_comb_omp.h index 0febe6b0aa..707ce146c1 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.h +++ b/src/USER-OMP/fix_qeq_comb_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/fix_qeq_reax_omp.h b/src/USER-OMP/fix_qeq_reax_omp.h index 46210647e5..323b1bdb09 100644 --- a/src/USER-OMP/fix_qeq_reax_omp.h +++ b/src/USER-OMP/fix_qeq_reax_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_nh_omp.h b/src/USER-OMP/fix_rigid_nh_omp.h index 2f57b2723b..ceebccf620 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.h +++ b/src/USER-OMP/fix_rigid_nh_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_nph_omp.h b/src/USER-OMP/fix_rigid_nph_omp.h index f64a743fea..25f8cbe4f2 100644 --- a/src/USER-OMP/fix_rigid_nph_omp.h +++ b/src/USER-OMP/fix_rigid_nph_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_npt_omp.h b/src/USER-OMP/fix_rigid_npt_omp.h index 627b5a8c29..c68371cb87 100644 --- a/src/USER-OMP/fix_rigid_npt_omp.h +++ b/src/USER-OMP/fix_rigid_npt_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_nve_omp.h b/src/USER-OMP/fix_rigid_nve_omp.h index eea45ee358..3f5f21ed7a 100644 --- a/src/USER-OMP/fix_rigid_nve_omp.h +++ b/src/USER-OMP/fix_rigid_nve_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_nvt_omp.h b/src/USER-OMP/fix_rigid_nvt_omp.h index e1583aa4df..e6db85573c 100644 --- a/src/USER-OMP/fix_rigid_nvt_omp.h +++ b/src/USER-OMP/fix_rigid_nvt_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_omp.h b/src/USER-OMP/fix_rigid_omp.h index b666a173a8..40810bd04c 100644 --- a/src/USER-OMP/fix_rigid_omp.h +++ b/src/USER-OMP/fix_rigid_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/fix_rigid_small_omp.h b/src/USER-OMP/fix_rigid_small_omp.h index 298a1aa9de..dbb9e50421 100644 --- a/src/USER-OMP/fix_rigid_small_omp.h +++ b/src/USER-OMP/fix_rigid_small_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_class2_omp.h b/src/USER-OMP/improper_class2_omp.h index 6f668a0078..f8f7e7b9f1 100644 --- a/src/USER-OMP/improper_class2_omp.h +++ b/src/USER-OMP/improper_class2_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_cossq_omp.h b/src/USER-OMP/improper_cossq_omp.h index 8fd1bc09a0..929731f445 100644 --- a/src/USER-OMP/improper_cossq_omp.h +++ b/src/USER-OMP/improper_cossq_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_cvff_omp.h b/src/USER-OMP/improper_cvff_omp.h index 8ab8f1615c..14f5bd7b7d 100644 --- a/src/USER-OMP/improper_cvff_omp.h +++ b/src/USER-OMP/improper_cvff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_fourier_omp.h b/src/USER-OMP/improper_fourier_omp.h index 8bd99cf4ca..b30694c424 100644 --- a/src/USER-OMP/improper_fourier_omp.h +++ b/src/USER-OMP/improper_fourier_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_harmonic_omp.h b/src/USER-OMP/improper_harmonic_omp.h index d6325016a7..4a8000af53 100644 --- a/src/USER-OMP/improper_harmonic_omp.h +++ b/src/USER-OMP/improper_harmonic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_ring_omp.h b/src/USER-OMP/improper_ring_omp.h index 2b2616ab03..4378b8933e 100644 --- a/src/USER-OMP/improper_ring_omp.h +++ b/src/USER-OMP/improper_ring_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/improper_umbrella_omp.h b/src/USER-OMP/improper_umbrella_omp.h index 41bdfed4d5..190ea0ac72 100644 --- a/src/USER-OMP/improper_umbrella_omp.h +++ b/src/USER-OMP/improper_umbrella_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/msm_cg_omp.h b/src/USER-OMP/msm_cg_omp.h index e5842aaa28..c6ece318ca 100644 --- a/src/USER-OMP/msm_cg_omp.h +++ b/src/USER-OMP/msm_cg_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/msm_omp.h b/src/USER-OMP/msm_omp.h index 400772acf1..88cb16c157 100644 --- a/src/USER-OMP/msm_omp.h +++ b/src/USER-OMP/msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_bin_atomonly_omp.h b/src/USER-OMP/npair_full_bin_atomonly_omp.h index 643bf193a2..aa7bece0c2 100644 --- a/src/USER-OMP/npair_full_bin_atomonly_omp.h +++ b/src/USER-OMP/npair_full_bin_atomonly_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_bin_ghost_omp.h b/src/USER-OMP/npair_full_bin_ghost_omp.h index afc2eaef9d..a833ec36ad 100644 --- a/src/USER-OMP/npair_full_bin_ghost_omp.h +++ b/src/USER-OMP/npair_full_bin_ghost_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_bin_omp.h b/src/USER-OMP/npair_full_bin_omp.h index 832fb82c49..dcf8bd20a6 100644 --- a/src/USER-OMP/npair_full_bin_omp.h +++ b/src/USER-OMP/npair_full_bin_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_multi_omp.h b/src/USER-OMP/npair_full_multi_omp.h index 882e649183..71154e225e 100644 --- a/src/USER-OMP/npair_full_multi_omp.h +++ b/src/USER-OMP/npair_full_multi_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_nsq_ghost_omp.h b/src/USER-OMP/npair_full_nsq_ghost_omp.h index a080c17804..06cb73c393 100644 --- a/src/USER-OMP/npair_full_nsq_ghost_omp.h +++ b/src/USER-OMP/npair_full_nsq_ghost_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_full_nsq_omp.h b/src/USER-OMP/npair_full_nsq_omp.h index 251d059d1c..a2b6e884ad 100644 --- a/src/USER-OMP/npair_full_nsq_omp.h +++ b/src/USER-OMP/npair_full_nsq_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_bin_atomonly_newton_omp.h b/src/USER-OMP/npair_half_bin_atomonly_newton_omp.h index 63223fd0bc..6ad9f3eee2 100644 --- a/src/USER-OMP/npair_half_bin_atomonly_newton_omp.h +++ b/src/USER-OMP/npair_half_bin_atomonly_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h b/src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h index 9b75abbb8b..443caa01c6 100644 --- a/src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h +++ b/src/USER-OMP/npair_half_bin_newtoff_ghost_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_bin_newtoff_omp.h b/src/USER-OMP/npair_half_bin_newtoff_omp.h index 06ef355f38..80d2c3a206 100644 --- a/src/USER-OMP/npair_half_bin_newtoff_omp.h +++ b/src/USER-OMP/npair_half_bin_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_bin_newton_omp.h b/src/USER-OMP/npair_half_bin_newton_omp.h index f2468f04ad..f74aae6035 100644 --- a/src/USER-OMP/npair_half_bin_newton_omp.h +++ b/src/USER-OMP/npair_half_bin_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_bin_newton_tri_omp.h b/src/USER-OMP/npair_half_bin_newton_tri_omp.h index f04f16f653..f430bbf098 100644 --- a/src/USER-OMP/npair_half_bin_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_bin_newton_tri_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_multi_newtoff_omp.h b/src/USER-OMP/npair_half_multi_newtoff_omp.h index a7aebf6579..a930ee8635 100644 --- a/src/USER-OMP/npair_half_multi_newtoff_omp.h +++ b/src/USER-OMP/npair_half_multi_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_multi_newton_omp.h b/src/USER-OMP/npair_half_multi_newton_omp.h index 85df36bb09..49657e8ee1 100644 --- a/src/USER-OMP/npair_half_multi_newton_omp.h +++ b/src/USER-OMP/npair_half_multi_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_multi_newton_tri_omp.h b/src/USER-OMP/npair_half_multi_newton_tri_omp.h index 80faf8188f..3958bf5d22 100644 --- a/src/USER-OMP/npair_half_multi_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_multi_newton_tri_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h b/src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h index 4294ab5f1f..5e66f8bee5 100644 --- a/src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h +++ b/src/USER-OMP/npair_half_nsq_newtoff_ghost_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_nsq_newtoff_omp.h b/src/USER-OMP/npair_half_nsq_newtoff_omp.h index 23db92e10a..009abb4cf3 100644 --- a/src/USER-OMP/npair_half_nsq_newtoff_omp.h +++ b/src/USER-OMP/npair_half_nsq_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_nsq_newton_omp.h b/src/USER-OMP/npair_half_nsq_newton_omp.h index cd40d4217d..3f45dc9a54 100644 --- a/src/USER-OMP/npair_half_nsq_newton_omp.h +++ b/src/USER-OMP/npair_half_nsq_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_respa_bin_newtoff_omp.h b/src/USER-OMP/npair_half_respa_bin_newtoff_omp.h index f4c7c69355..fc7d3d35f2 100644 --- a/src/USER-OMP/npair_half_respa_bin_newtoff_omp.h +++ b/src/USER-OMP/npair_half_respa_bin_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_respa_bin_newton_omp.h b/src/USER-OMP/npair_half_respa_bin_newton_omp.h index c4bad0aec8..6b3d9bd037 100644 --- a/src/USER-OMP/npair_half_respa_bin_newton_omp.h +++ b/src/USER-OMP/npair_half_respa_bin_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_respa_bin_newton_tri_omp.h b/src/USER-OMP/npair_half_respa_bin_newton_tri_omp.h index ea913f5560..72e0ec077d 100644 --- a/src/USER-OMP/npair_half_respa_bin_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_respa_bin_newton_tri_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h b/src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h index c1d8fbc91a..7f53113b8a 100644 --- a/src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h +++ b/src/USER-OMP/npair_half_respa_nsq_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_respa_nsq_newton_omp.h b/src/USER-OMP/npair_half_respa_nsq_newton_omp.h index b3f06fb170..b8b9ccbac3 100644 --- a/src/USER-OMP/npair_half_respa_nsq_newton_omp.h +++ b/src/USER-OMP/npair_half_respa_nsq_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_bin_newtoff_omp.h b/src/USER-OMP/npair_half_size_bin_newtoff_omp.h index 891df55278..26b99cf834 100644 --- a/src/USER-OMP/npair_half_size_bin_newtoff_omp.h +++ b/src/USER-OMP/npair_half_size_bin_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_bin_newton_omp.h b/src/USER-OMP/npair_half_size_bin_newton_omp.h index 4268ac36a1..62d0fcdbf7 100644 --- a/src/USER-OMP/npair_half_size_bin_newton_omp.h +++ b/src/USER-OMP/npair_half_size_bin_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_bin_newton_tri_omp.h b/src/USER-OMP/npair_half_size_bin_newton_tri_omp.h index 482ea4c36e..76e4512226 100644 --- a/src/USER-OMP/npair_half_size_bin_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_size_bin_newton_tri_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp index 415bfd3323..1e9b9369bd 100644 --- a/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newtoff_omp.h b/src/USER-OMP/npair_half_size_multi_newtoff_omp.h index dd883d7f3c..bdcc217160 100644 --- a/src/USER-OMP/npair_half_size_multi_newtoff_omp.h +++ b/src/USER-OMP/npair_half_size_multi_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newton_omp.cpp b/src/USER-OMP/npair_half_size_multi_newton_omp.cpp index e4914fd9bd..0bf79ff77d 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newton_omp.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newton_omp.h b/src/USER-OMP/npair_half_size_multi_newton_omp.h index 03d712145f..8f05bd908b 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_omp.h +++ b/src/USER-OMP/npair_half_size_multi_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp index ce54c4135f..96b57cc7c6 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.h b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.h index 6e936c8da4..4a2043fbf2 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.h +++ b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.h b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.h index 95eb5d0d7a..0b018323a9 100644 --- a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.h +++ b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_half_size_nsq_newton_omp.h b/src/USER-OMP/npair_half_size_nsq_newton_omp.h index 6f8343d260..26d22e7cf4 100644 --- a/src/USER-OMP/npair_half_size_nsq_newton_omp.h +++ b/src/USER-OMP/npair_half_size_nsq_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_halffull_newtoff_omp.h b/src/USER-OMP/npair_halffull_newtoff_omp.h index 961544a952..451ed801a2 100644 --- a/src/USER-OMP/npair_halffull_newtoff_omp.h +++ b/src/USER-OMP/npair_halffull_newtoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_halffull_newton_omp.h b/src/USER-OMP/npair_halffull_newton_omp.h index ef8be32a74..67a006b313 100644 --- a/src/USER-OMP/npair_halffull_newton_omp.h +++ b/src/USER-OMP/npair_halffull_newton_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_omp.h b/src/USER-OMP/npair_omp.h index 7f7d4d1cc2..bfcda382ed 100644 --- a/src/USER-OMP/npair_omp.h +++ b/src/USER-OMP/npair_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/npair_skip_omp.h b/src/USER-OMP/npair_skip_omp.h index a6ee1930d4..e3fa9624af 100644 --- a/src/USER-OMP/npair_skip_omp.h +++ b/src/USER-OMP/npair_skip_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_adp_omp.h b/src/USER-OMP/pair_adp_omp.h index e5c4c4af9f..de40ee2d5d 100644 --- a/src/USER-OMP/pair_adp_omp.h +++ b/src/USER-OMP/pair_adp_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_agni_omp.h b/src/USER-OMP/pair_agni_omp.h index 050696db28..506916467f 100644 --- a/src/USER-OMP/pair_agni_omp.h +++ b/src/USER-OMP/pair_agni_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_airebo_morse_omp.h b/src/USER-OMP/pair_airebo_morse_omp.h index 3e86f100b9..748ce991fa 100644 --- a/src/USER-OMP/pair_airebo_morse_omp.h +++ b/src/USER-OMP/pair_airebo_morse_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_airebo_omp.h b/src/USER-OMP/pair_airebo_omp.h index 5e7f4d4f58..75b86dae85 100644 --- a/src/USER-OMP/pair_airebo_omp.h +++ b/src/USER-OMP/pair_airebo_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_beck_omp.h b/src/USER-OMP/pair_beck_omp.h index 18a4401bbc..f1166c7c46 100644 --- a/src/USER-OMP/pair_beck_omp.h +++ b/src/USER-OMP/pair_beck_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_born_coul_long_omp.h b/src/USER-OMP/pair_born_coul_long_omp.h index bdf81e514e..403cc09658 100644 --- a/src/USER-OMP/pair_born_coul_long_omp.h +++ b/src/USER-OMP/pair_born_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_born_coul_msm_omp.h b/src/USER-OMP/pair_born_coul_msm_omp.h index ab6c32b0e7..96262de856 100644 --- a/src/USER-OMP/pair_born_coul_msm_omp.h +++ b/src/USER-OMP/pair_born_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_born_coul_wolf_omp.h b/src/USER-OMP/pair_born_coul_wolf_omp.h index d714b32d29..e7e8194383 100644 --- a/src/USER-OMP/pair_born_coul_wolf_omp.h +++ b/src/USER-OMP/pair_born_coul_wolf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_born_omp.h b/src/USER-OMP/pair_born_omp.h index db3c768f7a..e153178547 100644 --- a/src/USER-OMP/pair_born_omp.h +++ b/src/USER-OMP/pair_born_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_brownian_omp.h b/src/USER-OMP/pair_brownian_omp.h index c49560cbca..04c5185384 100644 --- a/src/USER-OMP/pair_brownian_omp.h +++ b/src/USER-OMP/pair_brownian_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_brownian_poly_omp.h b/src/USER-OMP/pair_brownian_poly_omp.h index df2c0b34bd..2e2fb2148e 100644 --- a/src/USER-OMP/pair_brownian_poly_omp.h +++ b/src/USER-OMP/pair_brownian_poly_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_buck_coul_cut_omp.h b/src/USER-OMP/pair_buck_coul_cut_omp.h index cf142b022a..eb3205d09b 100644 --- a/src/USER-OMP/pair_buck_coul_cut_omp.h +++ b/src/USER-OMP/pair_buck_coul_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_buck_coul_long_omp.h b/src/USER-OMP/pair_buck_coul_long_omp.h index 1309bc4c4b..6792064aac 100644 --- a/src/USER-OMP/pair_buck_coul_long_omp.h +++ b/src/USER-OMP/pair_buck_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_buck_coul_msm_omp.h b/src/USER-OMP/pair_buck_coul_msm_omp.h index 990a092911..56a89b8a23 100644 --- a/src/USER-OMP/pair_buck_coul_msm_omp.h +++ b/src/USER-OMP/pair_buck_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_buck_long_coul_long_omp.h b/src/USER-OMP/pair_buck_long_coul_long_omp.h index f874dd9b68..7359bb0630 100644 --- a/src/USER-OMP/pair_buck_long_coul_long_omp.h +++ b/src/USER-OMP/pair_buck_long_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_buck_omp.h b/src/USER-OMP/pair_buck_omp.h index 72e1178803..77c01bbc75 100644 --- a/src/USER-OMP/pair_buck_omp.h +++ b/src/USER-OMP/pair_buck_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_colloid_omp.h b/src/USER-OMP/pair_colloid_omp.h index 6605fbce00..bd35d153c9 100644 --- a/src/USER-OMP/pair_colloid_omp.h +++ b/src/USER-OMP/pair_colloid_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_comb_omp.h b/src/USER-OMP/pair_comb_omp.h index 85011064e7..ebd5ed0a97 100644 --- a/src/USER-OMP/pair_comb_omp.h +++ b/src/USER-OMP/pair_comb_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_coul_cut_global_omp.h b/src/USER-OMP/pair_coul_cut_global_omp.h index a2cb4a1dbe..7662dbbc9f 100644 --- a/src/USER-OMP/pair_coul_cut_global_omp.h +++ b/src/USER-OMP/pair_coul_cut_global_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_cut_omp.h b/src/USER-OMP/pair_coul_cut_omp.h index 9e5fe81197..6708b3ff8c 100644 --- a/src/USER-OMP/pair_coul_cut_omp.h +++ b/src/USER-OMP/pair_coul_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_cut_soft_omp.h b/src/USER-OMP/pair_coul_cut_soft_omp.h index c4788bf25c..2c806170c0 100644 --- a/src/USER-OMP/pair_coul_cut_soft_omp.h +++ b/src/USER-OMP/pair_coul_cut_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_debye_omp.h b/src/USER-OMP/pair_coul_debye_omp.h index dc08647553..669e13b6a7 100644 --- a/src/USER-OMP/pair_coul_debye_omp.h +++ b/src/USER-OMP/pair_coul_debye_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_diel_omp.h b/src/USER-OMP/pair_coul_diel_omp.h index 68206e4c28..53ab03d0e0 100644 --- a/src/USER-OMP/pair_coul_diel_omp.h +++ b/src/USER-OMP/pair_coul_diel_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_dsf_omp.h b/src/USER-OMP/pair_coul_dsf_omp.h index 7897e2b29a..99b34ac6d3 100644 --- a/src/USER-OMP/pair_coul_dsf_omp.h +++ b/src/USER-OMP/pair_coul_dsf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_long_omp.h b/src/USER-OMP/pair_coul_long_omp.h index d628d22b60..7f0f08eca3 100644 --- a/src/USER-OMP/pair_coul_long_omp.h +++ b/src/USER-OMP/pair_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_long_soft_omp.h b/src/USER-OMP/pair_coul_long_soft_omp.h index 1454db23d7..07ae676805 100644 --- a/src/USER-OMP/pair_coul_long_soft_omp.h +++ b/src/USER-OMP/pair_coul_long_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_msm_omp.h b/src/USER-OMP/pair_coul_msm_omp.h index 41054cd661..acd369820e 100644 --- a/src/USER-OMP/pair_coul_msm_omp.h +++ b/src/USER-OMP/pair_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_coul_wolf_omp.h b/src/USER-OMP/pair_coul_wolf_omp.h index aef683d22c..2d5508eca4 100644 --- a/src/USER-OMP/pair_coul_wolf_omp.h +++ b/src/USER-OMP/pair_coul_wolf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_dpd_omp.h b/src/USER-OMP/pair_dpd_omp.h index cacf4bd4bf..d39189eeec 100644 --- a/src/USER-OMP/pair_dpd_omp.h +++ b/src/USER-OMP/pair_dpd_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_dpd_tstat_omp.h b/src/USER-OMP/pair_dpd_tstat_omp.h index 48c5142038..5bea953378 100644 --- a/src/USER-OMP/pair_dpd_tstat_omp.h +++ b/src/USER-OMP/pair_dpd_tstat_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_eam_alloy_omp.h b/src/USER-OMP/pair_eam_alloy_omp.h index 6521d3e5a8..282c94878c 100644 --- a/src/USER-OMP/pair_eam_alloy_omp.h +++ b/src/USER-OMP/pair_eam_alloy_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_eam_fs_omp.h b/src/USER-OMP/pair_eam_fs_omp.h index c311f51cf3..5560c113dd 100644 --- a/src/USER-OMP/pair_eam_fs_omp.h +++ b/src/USER-OMP/pair_eam_fs_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_eam_omp.h b/src/USER-OMP/pair_eam_omp.h index 0f9d3cd51e..46630a82c9 100644 --- a/src/USER-OMP/pair_eam_omp.h +++ b/src/USER-OMP/pair_eam_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_edip_omp.h b/src/USER-OMP/pair_edip_omp.h index 55e10c83bb..512c0d33af 100644 --- a/src/USER-OMP/pair_edip_omp.h +++ b/src/USER-OMP/pair_edip_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_eim_omp.h b/src/USER-OMP/pair_eim_omp.h index c63222d7fb..737ac53cb7 100644 --- a/src/USER-OMP/pair_eim_omp.h +++ b/src/USER-OMP/pair_eim_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gauss_cut_omp.h b/src/USER-OMP/pair_gauss_cut_omp.h index 2da2c14fdb..7bf96f4530 100644 --- a/src/USER-OMP/pair_gauss_cut_omp.h +++ b/src/USER-OMP/pair_gauss_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gauss_omp.h b/src/USER-OMP/pair_gauss_omp.h index a65a98730a..0b60e7f019 100644 --- a/src/USER-OMP/pair_gauss_omp.h +++ b/src/USER-OMP/pair_gauss_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gayberne_omp.h b/src/USER-OMP/pair_gayberne_omp.h index 0e7b6708ff..ef6dfb1d8c 100644 --- a/src/USER-OMP/pair_gayberne_omp.h +++ b/src/USER-OMP/pair_gayberne_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gran_hertz_history_omp.h b/src/USER-OMP/pair_gran_hertz_history_omp.h index cede3af206..dd3dd62114 100644 --- a/src/USER-OMP/pair_gran_hertz_history_omp.h +++ b/src/USER-OMP/pair_gran_hertz_history_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gran_hooke_history_omp.h b/src/USER-OMP/pair_gran_hooke_history_omp.h index 32d2609ccc..9b114c3c1e 100644 --- a/src/USER-OMP/pair_gran_hooke_history_omp.h +++ b/src/USER-OMP/pair_gran_hooke_history_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_gran_hooke_omp.h b/src/USER-OMP/pair_gran_hooke_omp.h index 81f831fcea..6210314004 100644 --- a/src/USER-OMP/pair_gran_hooke_omp.h +++ b/src/USER-OMP/pair_gran_hooke_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_hbond_dreiding_lj_omp.h b/src/USER-OMP/pair_hbond_dreiding_lj_omp.h index dc5108b3d7..47e73dd889 100644 --- a/src/USER-OMP/pair_hbond_dreiding_lj_omp.h +++ b/src/USER-OMP/pair_hbond_dreiding_lj_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_hbond_dreiding_morse_omp.h b/src/USER-OMP/pair_hbond_dreiding_morse_omp.h index 5a8aaf2c5a..5db8419de5 100644 --- a/src/USER-OMP/pair_hbond_dreiding_morse_omp.h +++ b/src/USER-OMP/pair_hbond_dreiding_morse_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj96_cut_omp.h b/src/USER-OMP/pair_lj96_cut_omp.h index 037c68fc03..7061def774 100644 --- a/src/USER-OMP/pair_lj96_cut_omp.h +++ b/src/USER-OMP/pair_lj96_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h index 9fb2835353..ce5eda3b24 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h +++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_implicit_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h index 9591d62c85..2e2275fa8c 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h +++ b/src/USER-OMP/pair_lj_charmm_coul_charmm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_omp.h b/src/USER-OMP/pair_lj_charmm_coul_long_omp.h index ba28d05114..b0e09c55eb 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_long_omp.h +++ b/src/USER-OMP/pair_lj_charmm_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.h b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.h index 961c41fdf7..b12e46d3a9 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.h +++ b/src/USER-OMP/pair_lj_charmm_coul_long_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.h b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.h index 5a153f081e..e3ebf6c8fc 100644 --- a/src/USER-OMP/pair_lj_charmm_coul_msm_omp.h +++ b/src/USER-OMP/pair_lj_charmm_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_class2_coul_cut_omp.h b/src/USER-OMP/pair_lj_class2_coul_cut_omp.h index f03da67a15..0beb5db2d1 100644 --- a/src/USER-OMP/pair_lj_class2_coul_cut_omp.h +++ b/src/USER-OMP/pair_lj_class2_coul_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_class2_coul_long_omp.h b/src/USER-OMP/pair_lj_class2_coul_long_omp.h index 973850c25c..87221ac58b 100644 --- a/src/USER-OMP/pair_lj_class2_coul_long_omp.h +++ b/src/USER-OMP/pair_lj_class2_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_class2_omp.h b/src/USER-OMP/pair_lj_class2_omp.h index 5acd2cfb39..35b3c9529b 100644 --- a/src/USER-OMP/pair_lj_class2_omp.h +++ b/src/USER-OMP/pair_lj_class2_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cubic_omp.h b/src/USER-OMP/pair_lj_cubic_omp.h index 78b298bb35..f305869446 100644 --- a/src/USER-OMP/pair_lj_cubic_omp.h +++ b/src/USER-OMP/pair_lj_cubic_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_omp.h b/src/USER-OMP/pair_lj_cut_coul_cut_omp.h index 0d5de5b7b7..9f4ccac03e 100644 --- a/src/USER-OMP/pair_lj_cut_coul_cut_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.h b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.h index 3716f548c5..8a6f443436 100644 --- a/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_cut_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_debye_omp.h b/src/USER-OMP/pair_lj_cut_coul_debye_omp.h index b327fc665f..a2e9c5e426 100644 --- a/src/USER-OMP/pair_lj_cut_coul_debye_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_debye_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.h b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.h index bf1d74b017..d0c702962e 100644 --- a/src/USER-OMP/pair_lj_cut_coul_dsf_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_dsf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_long_omp.h b/src/USER-OMP/pair_lj_cut_coul_long_omp.h index cea3271af0..abf7dbf755 100644 --- a/src/USER-OMP/pair_lj_cut_coul_long_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.h b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.h index 91ff8e0bab..636e050481 100644 --- a/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_long_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_msm_omp.h b/src/USER-OMP/pair_lj_cut_coul_msm_omp.h index e496d133f6..cb49f14163 100644 --- a/src/USER-OMP/pair_lj_cut_coul_msm_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.h b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.h index 4e56808c7b..744720c13a 100644 --- a/src/USER-OMP/pair_lj_cut_coul_wolf_omp.h +++ b/src/USER-OMP/pair_lj_cut_coul_wolf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.h b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.h index cebacac00f..96b01aa22d 100644 --- a/src/USER-OMP/pair_lj_cut_dipole_cut_omp.h +++ b/src/USER-OMP/pair_lj_cut_dipole_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_omp.h b/src/USER-OMP/pair_lj_cut_omp.h index 419b0693b1..6b5e4e168a 100644 --- a/src/USER-OMP/pair_lj_cut_omp.h +++ b/src/USER-OMP/pair_lj_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_soft_omp.h b/src/USER-OMP/pair_lj_cut_soft_omp.h index e47262599d..2790bd106d 100644 --- a/src/USER-OMP/pair_lj_cut_soft_omp.h +++ b/src/USER-OMP/pair_lj_cut_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_thole_long_omp.h b/src/USER-OMP/pair_lj_cut_thole_long_omp.h index 212f3c4e2e..844b1b3799 100644 --- a/src/USER-OMP/pair_lj_cut_thole_long_omp.h +++ b/src/USER-OMP/pair_lj_cut_thole_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.h b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.h index f546d0dc3d..3fc7592e73 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.h +++ b/src/USER-OMP/pair_lj_cut_tip4p_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.h b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.h index deb060ccbe..ba5556130c 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_long_omp.h +++ b/src/USER-OMP/pair_lj_cut_tip4p_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.h b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.h index 6759d346e7..208e9f3589 100644 --- a/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.h +++ b/src/USER-OMP/pair_lj_cut_tip4p_long_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_expand_omp.h b/src/USER-OMP/pair_lj_expand_omp.h index 8ca3bd41b0..d1723fabe2 100644 --- a/src/USER-OMP/pair_lj_expand_omp.h +++ b/src/USER-OMP/pair_lj_expand_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h index 353e4d673d..da014d73c1 100644 --- a/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h +++ b/src/USER-OMP/pair_lj_gromacs_coul_gromacs_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_gromacs_omp.h b/src/USER-OMP/pair_lj_gromacs_omp.h index 3669d1b219..7073f6de67 100644 --- a/src/USER-OMP/pair_lj_gromacs_omp.h +++ b/src/USER-OMP/pair_lj_gromacs_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_long_coul_long_omp.h b/src/USER-OMP/pair_lj_long_coul_long_omp.h index dd47231a9c..5e410ce3c7 100644 --- a/src/USER-OMP/pair_lj_long_coul_long_omp.h +++ b/src/USER-OMP/pair_lj_long_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_long_tip4p_long_omp.h b/src/USER-OMP/pair_lj_long_tip4p_long_omp.h index 171edb6ddd..6c7eab6bc5 100644 --- a/src/USER-OMP/pair_lj_long_tip4p_long_omp.h +++ b/src/USER-OMP/pair_lj_long_tip4p_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_relres_omp.h b/src/USER-OMP/pair_lj_relres_omp.h index a367a1bc87..429e27b6ca 100644 --- a/src/USER-OMP/pair_lj_relres_omp.h +++ b/src/USER-OMP/pair_lj_relres_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_sdk_coul_long_omp.h b/src/USER-OMP/pair_lj_sdk_coul_long_omp.h index 1886d2c7b5..2ff3aa2025 100644 --- a/src/USER-OMP/pair_lj_sdk_coul_long_omp.h +++ b/src/USER-OMP/pair_lj_sdk_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.h b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.h index 9841408b8a..ad9e20d29c 100644 --- a/src/USER-OMP/pair_lj_sdk_coul_msm_omp.h +++ b/src/USER-OMP/pair_lj_sdk_coul_msm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_sdk_omp.h b/src/USER-OMP/pair_lj_sdk_omp.h index 36c913252a..b9186d3e78 100644 --- a/src/USER-OMP/pair_lj_sdk_omp.h +++ b/src/USER-OMP/pair_lj_sdk_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.h b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.h index b8f3e705a6..46bbafccd2 100644 --- a/src/USER-OMP/pair_lj_sf_dipole_sf_omp.h +++ b/src/USER-OMP/pair_lj_sf_dipole_sf_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_smooth_linear_omp.h b/src/USER-OMP/pair_lj_smooth_linear_omp.h index 874e42eb9f..b63e4e5d8f 100644 --- a/src/USER-OMP/pair_lj_smooth_linear_omp.h +++ b/src/USER-OMP/pair_lj_smooth_linear_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lj_smooth_omp.h b/src/USER-OMP/pair_lj_smooth_omp.h index 0b47a792a4..c621fd60bc 100644 --- a/src/USER-OMP/pair_lj_smooth_omp.h +++ b/src/USER-OMP/pair_lj_smooth_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lubricate_omp.h b/src/USER-OMP/pair_lubricate_omp.h index b35dc5d563..203c1db03b 100644 --- a/src/USER-OMP/pair_lubricate_omp.h +++ b/src/USER-OMP/pair_lubricate_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_lubricate_poly_omp.h b/src/USER-OMP/pair_lubricate_poly_omp.h index e9984ce0d4..d72115fd46 100644 --- a/src/USER-OMP/pair_lubricate_poly_omp.h +++ b/src/USER-OMP/pair_lubricate_poly_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_meam_spline_omp.h b/src/USER-OMP/pair_meam_spline_omp.h index 2fd169609f..553b80320a 100644 --- a/src/USER-OMP/pair_meam_spline_omp.h +++ b/src/USER-OMP/pair_meam_spline_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_morse_omp.h b/src/USER-OMP/pair_morse_omp.h index 40797e2502..b73880dd8a 100644 --- a/src/USER-OMP/pair_morse_omp.h +++ b/src/USER-OMP/pair_morse_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_morse_smooth_linear_omp.h b/src/USER-OMP/pair_morse_smooth_linear_omp.h index 90109d2755..1753e69842 100644 --- a/src/USER-OMP/pair_morse_smooth_linear_omp.h +++ b/src/USER-OMP/pair_morse_smooth_linear_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_nm_cut_coul_cut_omp.h b/src/USER-OMP/pair_nm_cut_coul_cut_omp.h index 1892c80816..7a073ad3f6 100644 --- a/src/USER-OMP/pair_nm_cut_coul_cut_omp.h +++ b/src/USER-OMP/pair_nm_cut_coul_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_nm_cut_coul_long_omp.h b/src/USER-OMP/pair_nm_cut_coul_long_omp.h index fe6317ce91..1457ef18eb 100644 --- a/src/USER-OMP/pair_nm_cut_coul_long_omp.h +++ b/src/USER-OMP/pair_nm_cut_coul_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_nm_cut_omp.h b/src/USER-OMP/pair_nm_cut_omp.h index 161804c783..5276708164 100644 --- a/src/USER-OMP/pair_nm_cut_omp.h +++ b/src/USER-OMP/pair_nm_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_peri_lps_omp.h b/src/USER-OMP/pair_peri_lps_omp.h index aedb51472e..00322f95b1 100644 --- a/src/USER-OMP/pair_peri_lps_omp.h +++ b/src/USER-OMP/pair_peri_lps_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_peri_pmb_omp.h b/src/USER-OMP/pair_peri_pmb_omp.h index cb2d83250e..378926c830 100644 --- a/src/USER-OMP/pair_peri_pmb_omp.h +++ b/src/USER-OMP/pair_peri_pmb_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_reaxc_omp.h b/src/USER-OMP/pair_reaxc_omp.h index 38994c5264..08823489ef 100644 --- a/src/USER-OMP/pair_reaxc_omp.h +++ b/src/USER-OMP/pair_reaxc_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_rebo_omp.h b/src/USER-OMP/pair_rebo_omp.h index ef837f33df..0f256bb65b 100644 --- a/src/USER-OMP/pair_rebo_omp.h +++ b/src/USER-OMP/pair_rebo_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_resquared_omp.h b/src/USER-OMP/pair_resquared_omp.h index cc2a59d74a..d06747191b 100644 --- a/src/USER-OMP/pair_resquared_omp.h +++ b/src/USER-OMP/pair_resquared_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_soft_omp.h b/src/USER-OMP/pair_soft_omp.h index 74958208ed..c930cafc1e 100644 --- a/src/USER-OMP/pair_soft_omp.h +++ b/src/USER-OMP/pair_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_sw_omp.h b/src/USER-OMP/pair_sw_omp.h index a99edba46e..546ff75bfa 100644 --- a/src/USER-OMP/pair_sw_omp.h +++ b/src/USER-OMP/pair_sw_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_table_omp.h b/src/USER-OMP/pair_table_omp.h index dbc0b8e5b9..d4a773b11f 100644 --- a/src/USER-OMP/pair_table_omp.h +++ b/src/USER-OMP/pair_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.h b/src/USER-OMP/pair_tersoff_mod_c_omp.h index 5cc669fa1a..9d613b502e 100644 --- a/src/USER-OMP/pair_tersoff_mod_c_omp.h +++ b/src/USER-OMP/pair_tersoff_mod_c_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_tersoff_mod_omp.h b/src/USER-OMP/pair_tersoff_mod_omp.h index 3eaf268073..2f4db53b3a 100644 --- a/src/USER-OMP/pair_tersoff_mod_omp.h +++ b/src/USER-OMP/pair_tersoff_mod_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_tersoff_omp.h b/src/USER-OMP/pair_tersoff_omp.h index 846b008921..b70bc3cf87 100644 --- a/src/USER-OMP/pair_tersoff_omp.h +++ b/src/USER-OMP/pair_tersoff_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_tersoff_table_omp.h b/src/USER-OMP/pair_tersoff_table_omp.h index e4f9f48abd..8f77e2316c 100644 --- a/src/USER-OMP/pair_tersoff_table_omp.h +++ b/src/USER-OMP/pair_tersoff_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.h b/src/USER-OMP/pair_tersoff_zbl_omp.h index 32d7b6b4c4..1e76d04b76 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.h +++ b/src/USER-OMP/pair_tersoff_zbl_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov See the README file in the top-level LAMMPS directory. diff --git a/src/USER-OMP/pair_tip4p_cut_omp.h b/src/USER-OMP/pair_tip4p_cut_omp.h index 952b3347e6..c546e7bdf9 100644 --- a/src/USER-OMP/pair_tip4p_cut_omp.h +++ b/src/USER-OMP/pair_tip4p_cut_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_tip4p_long_omp.h b/src/USER-OMP/pair_tip4p_long_omp.h index 6b6a2c4b61..489d68ee50 100644 --- a/src/USER-OMP/pair_tip4p_long_omp.h +++ b/src/USER-OMP/pair_tip4p_long_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_tip4p_long_soft_omp.h b/src/USER-OMP/pair_tip4p_long_soft_omp.h index 9142f156e9..89b1ecffc8 100644 --- a/src/USER-OMP/pair_tip4p_long_soft_omp.h +++ b/src/USER-OMP/pair_tip4p_long_soft_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_ufm_omp.h b/src/USER-OMP/pair_ufm_omp.h index 2a01da15d0..b17265a820 100644 --- a/src/USER-OMP/pair_ufm_omp.h +++ b/src/USER-OMP/pair_ufm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_vashishta_omp.h b/src/USER-OMP/pair_vashishta_omp.h index 4c8efddb86..6ea60ea5ad 100644 --- a/src/USER-OMP/pair_vashishta_omp.h +++ b/src/USER-OMP/pair_vashishta_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_vashishta_table_omp.h b/src/USER-OMP/pair_vashishta_table_omp.h index eb892015ce..e19ff9662a 100644 --- a/src/USER-OMP/pair_vashishta_table_omp.h +++ b/src/USER-OMP/pair_vashishta_table_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_yukawa_colloid_omp.h b/src/USER-OMP/pair_yukawa_colloid_omp.h index b0ef483b5b..cec1e2977b 100644 --- a/src/USER-OMP/pair_yukawa_colloid_omp.h +++ b/src/USER-OMP/pair_yukawa_colloid_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_yukawa_omp.h b/src/USER-OMP/pair_yukawa_omp.h index d9db213474..943ea1dd8e 100644 --- a/src/USER-OMP/pair_yukawa_omp.h +++ b/src/USER-OMP/pair_yukawa_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pair_zbl_omp.h b/src/USER-OMP/pair_zbl_omp.h index a75d9dba53..ee40f2b1c7 100644 --- a/src/USER-OMP/pair_zbl_omp.h +++ b/src/USER-OMP/pair_zbl_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pppm_cg_omp.h b/src/USER-OMP/pppm_cg_omp.h index b421d6b525..1a965ce848 100644 --- a/src/USER-OMP/pppm_cg_omp.h +++ b/src/USER-OMP/pppm_cg_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pppm_disp_omp.h b/src/USER-OMP/pppm_disp_omp.h index 33dc9a308c..b6114e8b7a 100644 --- a/src/USER-OMP/pppm_disp_omp.h +++ b/src/USER-OMP/pppm_disp_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pppm_disp_tip4p_omp.h b/src/USER-OMP/pppm_disp_tip4p_omp.h index 442c36c31a..3351a056a9 100644 --- a/src/USER-OMP/pppm_disp_tip4p_omp.h +++ b/src/USER-OMP/pppm_disp_tip4p_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pppm_omp.h b/src/USER-OMP/pppm_omp.h index bbaaaa00ef..1df65d927e 100644 --- a/src/USER-OMP/pppm_omp.h +++ b/src/USER-OMP/pppm_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/pppm_tip4p_omp.h b/src/USER-OMP/pppm_tip4p_omp.h index de130030f9..7685bbbd6c 100644 --- a/src/USER-OMP/pppm_tip4p_omp.h +++ b/src/USER-OMP/pppm_tip4p_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/respa_omp.h b/src/USER-OMP/respa_omp.h index dc01e3dc5b..6c676328b2 100644 --- a/src/USER-OMP/respa_omp.h +++ b/src/USER-OMP/respa_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/thr_data.h b/src/USER-OMP/thr_data.h index 685040f0b8..1ec198c726 100644 --- a/src/USER-OMP/thr_data.h +++ b/src/USER-OMP/thr_data.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-OMP/thr_omp.h b/src/USER-OMP/thr_omp.h index 2db6e6f54f..966970eb4d 100644 --- a/src/USER-OMP/thr_omp.h +++ b/src/USER-OMP/thr_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-PACE/pair_pace.h b/src/USER-PACE/pair_pace.h index 4d5ddcb9e8..397b6dd1a9 100644 --- a/src/USER-PACE/pair_pace.h +++ b/src/USER-PACE/pair_pace.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov This software is distributed under the GNU General Public License. diff --git a/src/USER-PLUMED/fix_plumed.h b/src/USER-PLUMED/fix_plumed.h index e20633fadc..43096e8a26 100644 --- a/src/USER-PLUMED/fix_plumed.h +++ b/src/USER-PLUMED/fix_plumed.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-PTM/compute_ptm_atom.h b/src/USER-PTM/compute_ptm_atom.h index d7373a0763..2d6bfbb904 100644 --- a/src/USER-PTM/compute_ptm_atom.h +++ b/src/USER-PTM/compute_ptm_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-QMMM/fix_qmmm.h b/src/USER-QMMM/fix_qmmm.h index 9b1d3cf7bb..f7f599e8f1 100644 --- a/src/USER-QMMM/fix_qmmm.h +++ b/src/USER-QMMM/fix_qmmm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-QTB/fix_qbmsst.h b/src/USER-QTB/fix_qbmsst.h index cec54e40d8..31e9ae77cc 100644 --- a/src/USER-QTB/fix_qbmsst.h +++ b/src/USER-QTB/fix_qbmsst.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-QTB/fix_qtb.h b/src/USER-QTB/fix_qtb.h index 86a91bc9f6..88726e7253 100644 --- a/src/USER-QTB/fix_qtb.h +++ b/src/USER-QTB/fix_qtb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-QUIP/pair_quip.h b/src/USER-QUIP/pair_quip.h index 216bf0dc28..b6029f0c40 100644 --- a/src/USER-QUIP/pair_quip.h +++ b/src/USER-QUIP/pair_quip.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REACTION/fix_bond_react.h b/src/USER-REACTION/fix_bond_react.h index 67788df217..19852d93f7 100644 --- a/src/USER-REACTION/fix_bond_react.h +++ b/src/USER-REACTION/fix_bond_react.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REACTION/superpose3d.h b/src/USER-REACTION/superpose3d.h index b0b290ddad..51de3ea739 100644 --- a/src/USER-REACTION/superpose3d.h +++ b/src/USER-REACTION/superpose3d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/compute_spec_atom.h b/src/USER-REAXC/compute_spec_atom.h index cf0aa0215d..a7411bbed3 100644 --- a/src/USER-REAXC/compute_spec_atom.h +++ b/src/USER-REAXC/compute_spec_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Labo0ratories + https://lammps.sandia.gov/, Sandia National Labo0ratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/fix_qeq_reax.h b/src/USER-REAXC/fix_qeq_reax.h index 5658167aca..65e1643a0c 100644 --- a/src/USER-REAXC/fix_qeq_reax.h +++ b/src/USER-REAXC/fix_qeq_reax.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/fix_reaxc.h b/src/USER-REAXC/fix_reaxc.h index 6a37002847..6fefb975fd 100644 --- a/src/USER-REAXC/fix_reaxc.h +++ b/src/USER-REAXC/fix_reaxc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/fix_reaxc_bonds.h b/src/USER-REAXC/fix_reaxc_bonds.h index e83e01f1d5..a19135f25a 100644 --- a/src/USER-REAXC/fix_reaxc_bonds.h +++ b/src/USER-REAXC/fix_reaxc_bonds.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/fix_reaxc_species.h b/src/USER-REAXC/fix_reaxc_species.h index 937af98527..35e3f31ab0 100644 --- a/src/USER-REAXC/fix_reaxc_species.h +++ b/src/USER-REAXC/fix_reaxc_species.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-REAXC/pair_reaxc.h b/src/USER-REAXC/pair_reaxc.h index 53b41ba9c8..d3fad7f63f 100644 --- a/src/USER-REAXC/pair_reaxc.h +++ b/src/USER-REAXC/pair_reaxc.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SCAFACOS/scafacos.h b/src/USER-SCAFACOS/scafacos.h index 33e714e136..62517561de 100644 --- a/src/USER-SCAFACOS/scafacos.h +++ b/src/USER-SCAFACOS/scafacos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SDPD/fix_meso_move.h b/src/USER-SDPD/fix_meso_move.h index a5e213ba81..27532fe5b6 100644 --- a/src/USER-SDPD/fix_meso_move.h +++ b/src/USER-SDPD/fix_meso_move.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SDPD/fix_rigid_meso.h b/src/USER-SDPD/fix_rigid_meso.h index 6945e3c144..fcec79e4c3 100644 --- a/src/USER-SDPD/fix_rigid_meso.h +++ b/src/USER-SDPD/fix_rigid_meso.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h index 2d3d06297b..95f62bf166 100644 --- a/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h +++ b/src/USER-SDPD/pair_sdpd_taitwater_isothermal.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/atom_vec_smd.h b/src/USER-SMD/atom_vec_smd.h index 055ad795c4..b5738d9b3f 100644 --- a/src/USER-SMD/atom_vec_smd.h +++ b/src/USER-SMD/atom_vec_smd.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_contact_radius.h b/src/USER-SMD/compute_smd_contact_radius.h index f22dce1bab..2c3098936f 100644 --- a/src/USER-SMD/compute_smd_contact_radius.h +++ b/src/USER-SMD/compute_smd_contact_radius.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_damage.h b/src/USER-SMD/compute_smd_damage.h index c8447872c7..5c3e96b339 100644 --- a/src/USER-SMD/compute_smd_damage.h +++ b/src/USER-SMD/compute_smd_damage.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_hourglass_error.h b/src/USER-SMD/compute_smd_hourglass_error.h index a6d1d1a1e2..4807164cb1 100644 --- a/src/USER-SMD/compute_smd_hourglass_error.h +++ b/src/USER-SMD/compute_smd_hourglass_error.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_internal_energy.h b/src/USER-SMD/compute_smd_internal_energy.h index fbccfbfb7e..0f11c2c9fe 100644 --- a/src/USER-SMD/compute_smd_internal_energy.h +++ b/src/USER-SMD/compute_smd_internal_energy.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_plastic_strain.h b/src/USER-SMD/compute_smd_plastic_strain.h index d2e64e31a1..fdc1f8af8d 100644 --- a/src/USER-SMD/compute_smd_plastic_strain.h +++ b/src/USER-SMD/compute_smd_plastic_strain.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_plastic_strain_rate.h b/src/USER-SMD/compute_smd_plastic_strain_rate.h index 03445e92f8..3311a5d28d 100644 --- a/src/USER-SMD/compute_smd_plastic_strain_rate.h +++ b/src/USER-SMD/compute_smd_plastic_strain_rate.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_rho.h b/src/USER-SMD/compute_smd_rho.h index 35dfdf8e91..9ee1ee11da 100644 --- a/src/USER-SMD/compute_smd_rho.h +++ b/src/USER-SMD/compute_smd_rho.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_defgrad.h b/src/USER-SMD/compute_smd_tlsph_defgrad.h index 5dfa502991..2882d3bde6 100644 --- a/src/USER-SMD/compute_smd_tlsph_defgrad.h +++ b/src/USER-SMD/compute_smd_tlsph_defgrad.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_dt.h b/src/USER-SMD/compute_smd_tlsph_dt.h index 09bf6c9727..6d0172f3f9 100644 --- a/src/USER-SMD/compute_smd_tlsph_dt.h +++ b/src/USER-SMD/compute_smd_tlsph_dt.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_num_neighs.h b/src/USER-SMD/compute_smd_tlsph_num_neighs.h index da649fbce2..bd8bf80b90 100644 --- a/src/USER-SMD/compute_smd_tlsph_num_neighs.h +++ b/src/USER-SMD/compute_smd_tlsph_num_neighs.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_shape.h b/src/USER-SMD/compute_smd_tlsph_shape.h index 193657870c..422073dffe 100644 --- a/src/USER-SMD/compute_smd_tlsph_shape.h +++ b/src/USER-SMD/compute_smd_tlsph_shape.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_strain.h b/src/USER-SMD/compute_smd_tlsph_strain.h index 1294af2f45..1ebdfa5ba2 100644 --- a/src/USER-SMD/compute_smd_tlsph_strain.h +++ b/src/USER-SMD/compute_smd_tlsph_strain.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_strain_rate.h b/src/USER-SMD/compute_smd_tlsph_strain_rate.h index cc4ed9f5ee..ccaec219a6 100644 --- a/src/USER-SMD/compute_smd_tlsph_strain_rate.h +++ b/src/USER-SMD/compute_smd_tlsph_strain_rate.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_tlsph_stress.h b/src/USER-SMD/compute_smd_tlsph_stress.h index bf9079bb4f..97a01282d7 100644 --- a/src/USER-SMD/compute_smd_tlsph_stress.h +++ b/src/USER-SMD/compute_smd_tlsph_stress.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_triangle_vertices.h b/src/USER-SMD/compute_smd_triangle_vertices.h index 54c6055b98..5c6e178e14 100644 --- a/src/USER-SMD/compute_smd_triangle_vertices.h +++ b/src/USER-SMD/compute_smd_triangle_vertices.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_ulsph_effm.h b/src/USER-SMD/compute_smd_ulsph_effm.h index 68981fe76d..c4c5025a12 100644 --- a/src/USER-SMD/compute_smd_ulsph_effm.h +++ b/src/USER-SMD/compute_smd_ulsph_effm.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_ulsph_num_neighs.h b/src/USER-SMD/compute_smd_ulsph_num_neighs.h index 57340f01b6..cc3b56c0be 100644 --- a/src/USER-SMD/compute_smd_ulsph_num_neighs.h +++ b/src/USER-SMD/compute_smd_ulsph_num_neighs.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_ulsph_strain.h b/src/USER-SMD/compute_smd_ulsph_strain.h index a5796f34e2..37a33a8307 100644 --- a/src/USER-SMD/compute_smd_ulsph_strain.h +++ b/src/USER-SMD/compute_smd_ulsph_strain.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_ulsph_strain_rate.h b/src/USER-SMD/compute_smd_ulsph_strain_rate.h index fc6df758e6..b306259aaf 100644 --- a/src/USER-SMD/compute_smd_ulsph_strain_rate.h +++ b/src/USER-SMD/compute_smd_ulsph_strain_rate.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_ulsph_stress.h b/src/USER-SMD/compute_smd_ulsph_stress.h index 4e27a51723..17183d9f57 100644 --- a/src/USER-SMD/compute_smd_ulsph_stress.h +++ b/src/USER-SMD/compute_smd_ulsph_stress.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/compute_smd_vol.h b/src/USER-SMD/compute_smd_vol.h index 08ad150627..9b2b9e4728 100644 --- a/src/USER-SMD/compute_smd_vol.h +++ b/src/USER-SMD/compute_smd_vol.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_adjust_dt.h b/src/USER-SMD/fix_smd_adjust_dt.h index b89c136082..777519a35c 100644 --- a/src/USER-SMD/fix_smd_adjust_dt.h +++ b/src/USER-SMD/fix_smd_adjust_dt.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_integrate_tlsph.h b/src/USER-SMD/fix_smd_integrate_tlsph.h index 6c152e6fe3..495bd65427 100644 --- a/src/USER-SMD/fix_smd_integrate_tlsph.h +++ b/src/USER-SMD/fix_smd_integrate_tlsph.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_integrate_ulsph.h b/src/USER-SMD/fix_smd_integrate_ulsph.h index 9d954bf529..5339671ab1 100644 --- a/src/USER-SMD/fix_smd_integrate_ulsph.h +++ b/src/USER-SMD/fix_smd_integrate_ulsph.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_move_triangulated_surface.h b/src/USER-SMD/fix_smd_move_triangulated_surface.h index ec58a8bac1..9d0b3e6692 100644 --- a/src/USER-SMD/fix_smd_move_triangulated_surface.h +++ b/src/USER-SMD/fix_smd_move_triangulated_surface.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_setvel.h b/src/USER-SMD/fix_smd_setvel.h index f5fc34b4ea..af4f556942 100644 --- a/src/USER-SMD/fix_smd_setvel.h +++ b/src/USER-SMD/fix_smd_setvel.h @@ -11,7 +11,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_tlsph_reference_configuration.h b/src/USER-SMD/fix_smd_tlsph_reference_configuration.h index 5f952bde93..29f759d3a3 100644 --- a/src/USER-SMD/fix_smd_tlsph_reference_configuration.h +++ b/src/USER-SMD/fix_smd_tlsph_reference_configuration.h @@ -13,7 +13,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/fix_smd_wall_surface.h b/src/USER-SMD/fix_smd_wall_surface.h index 3ff2b49737..7f96222ff5 100644 --- a/src/USER-SMD/fix_smd_wall_surface.h +++ b/src/USER-SMD/fix_smd_wall_surface.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/pair_smd_hertz.h b/src/USER-SMD/pair_smd_hertz.h index 0866ef7486..2cdfaceb51 100644 --- a/src/USER-SMD/pair_smd_hertz.h +++ b/src/USER-SMD/pair_smd_hertz.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/pair_smd_tlsph.h b/src/USER-SMD/pair_smd_tlsph.h index 31a238d564..4a5d55c768 100644 --- a/src/USER-SMD/pair_smd_tlsph.h +++ b/src/USER-SMD/pair_smd_tlsph.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/pair_smd_triangulated_surface.h b/src/USER-SMD/pair_smd_triangulated_surface.h index f5772e0ead..6b4e83616c 100644 --- a/src/USER-SMD/pair_smd_triangulated_surface.h +++ b/src/USER-SMD/pair_smd_triangulated_surface.h @@ -12,7 +12,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/pair_smd_ulsph.h b/src/USER-SMD/pair_smd_ulsph.h index 435e0cb5a2..5313985bf7 100644 --- a/src/USER-SMD/pair_smd_ulsph.h +++ b/src/USER-SMD/pair_smd_ulsph.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMD/smd_material_models.h b/src/USER-SMD/smd_material_models.h index 557612bdf5..761ac4ec8a 100644 --- a/src/USER-SMD/smd_material_models.h +++ b/src/USER-SMD/smd_material_models.h @@ -11,7 +11,7 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SMTBQ/pair_smtbq.h b/src/USER-SMTBQ/pair_smtbq.h index 8bf1cba57c..b110b6aaae 100644 --- a/src/USER-SMTBQ/pair_smtbq.h +++ b/src/USER-SMTBQ/pair_smtbq.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/atom_vec_sph.h b/src/USER-SPH/atom_vec_sph.h index 634c3c72f5..e6a8185760 100644 --- a/src/USER-SPH/atom_vec_sph.h +++ b/src/USER-SPH/atom_vec_sph.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/compute_sph_e_atom.h b/src/USER-SPH/compute_sph_e_atom.h index 370fab148b..885a7bbcb6 100644 --- a/src/USER-SPH/compute_sph_e_atom.h +++ b/src/USER-SPH/compute_sph_e_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/compute_sph_rho_atom.h b/src/USER-SPH/compute_sph_rho_atom.h index bd38f41199..37ba49a63f 100644 --- a/src/USER-SPH/compute_sph_rho_atom.h +++ b/src/USER-SPH/compute_sph_rho_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/compute_sph_t_atom.h b/src/USER-SPH/compute_sph_t_atom.h index b3bf93a0eb..7489c00299 100644 --- a/src/USER-SPH/compute_sph_t_atom.h +++ b/src/USER-SPH/compute_sph_t_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/fix_sph.h b/src/USER-SPH/fix_sph.h index 0a43997508..590612e2bd 100644 --- a/src/USER-SPH/fix_sph.h +++ b/src/USER-SPH/fix_sph.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/fix_sph_stationary.h b/src/USER-SPH/fix_sph_stationary.h index f2bb6c39f2..90cc164ff1 100644 --- a/src/USER-SPH/fix_sph_stationary.h +++ b/src/USER-SPH/fix_sph_stationary.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_heatconduction.h b/src/USER-SPH/pair_sph_heatconduction.h index c2c7f33d23..43ff122cf7 100644 --- a/src/USER-SPH/pair_sph_heatconduction.h +++ b/src/USER-SPH/pair_sph_heatconduction.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_idealgas.h b/src/USER-SPH/pair_sph_idealgas.h index c47316865f..a0920aece2 100644 --- a/src/USER-SPH/pair_sph_idealgas.h +++ b/src/USER-SPH/pair_sph_idealgas.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_lj.h b/src/USER-SPH/pair_sph_lj.h index f6a8f73b9f..2929e69783 100644 --- a/src/USER-SPH/pair_sph_lj.h +++ b/src/USER-SPH/pair_sph_lj.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_rhosum.h b/src/USER-SPH/pair_sph_rhosum.h index ae6ee74eff..d7a168fbcb 100644 --- a/src/USER-SPH/pair_sph_rhosum.h +++ b/src/USER-SPH/pair_sph_rhosum.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_taitwater.h b/src/USER-SPH/pair_sph_taitwater.h index ea4cfd8b26..41473da8d2 100644 --- a/src/USER-SPH/pair_sph_taitwater.h +++ b/src/USER-SPH/pair_sph_taitwater.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-SPH/pair_sph_taitwater_morris.h b/src/USER-SPH/pair_sph_taitwater_morris.h index 2736e347e1..8d98e7a0ed 100644 --- a/src/USER-SPH/pair_sph_taitwater_morris.h +++ b/src/USER-SPH/pair_sph_taitwater_morris.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-TALLY/compute_force_tally.h b/src/USER-TALLY/compute_force_tally.h index ae2f06a096..86703d1187 100644 --- a/src/USER-TALLY/compute_force_tally.h +++ b/src/USER-TALLY/compute_force_tally.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-TALLY/compute_heat_flux_tally.h b/src/USER-TALLY/compute_heat_flux_tally.h index 4158b2e29d..9f96946a19 100644 --- a/src/USER-TALLY/compute_heat_flux_tally.h +++ b/src/USER-TALLY/compute_heat_flux_tally.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-TALLY/compute_pe_mol_tally.h b/src/USER-TALLY/compute_pe_mol_tally.h index 1b022a9ef5..8c3bf3627d 100644 --- a/src/USER-TALLY/compute_pe_mol_tally.h +++ b/src/USER-TALLY/compute_pe_mol_tally.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-TALLY/compute_pe_tally.h b/src/USER-TALLY/compute_pe_tally.h index cd972e49db..f9d008f820 100644 --- a/src/USER-TALLY/compute_pe_tally.h +++ b/src/USER-TALLY/compute_pe_tally.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-TALLY/compute_stress_tally.h b/src/USER-TALLY/compute_stress_tally.h index 22f27a4a41..4236586822 100644 --- a/src/USER-TALLY/compute_stress_tally.h +++ b/src/USER-TALLY/compute_stress_tally.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/compute_pressure_uef.h b/src/USER-UEF/compute_pressure_uef.h index f5ce642a0e..9957ab4dd3 100644 --- a/src/USER-UEF/compute_pressure_uef.h +++ b/src/USER-UEF/compute_pressure_uef.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/compute_temp_uef.h b/src/USER-UEF/compute_temp_uef.h index 837e9c1c3e..638d87076a 100644 --- a/src/USER-UEF/compute_temp_uef.h +++ b/src/USER-UEF/compute_temp_uef.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/dump_cfg_uef.h b/src/USER-UEF/dump_cfg_uef.h index d8e7b15bcc..345d100721 100644 --- a/src/USER-UEF/dump_cfg_uef.h +++ b/src/USER-UEF/dump_cfg_uef.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/fix_npt_uef.h b/src/USER-UEF/fix_npt_uef.h index 4c0cd28ae0..74b4e55048 100644 --- a/src/USER-UEF/fix_npt_uef.h +++ b/src/USER-UEF/fix_npt_uef.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/fix_nvt_uef.h b/src/USER-UEF/fix_nvt_uef.h index b98da7963f..76ed7fd1ca 100644 --- a/src/USER-UEF/fix_nvt_uef.h +++ b/src/USER-UEF/fix_nvt_uef.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-UEF/uef_utils.h b/src/USER-UEF/uef_utils.h index 5936d4f6bd..13ee0dfa5a 100644 --- a/src/USER-UEF/uef_utils.h +++ b/src/USER-UEF/uef_utils.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-VTK/dump_vtk.h b/src/USER-VTK/dump_vtk.h index 9d46571d23..9ff57c642b 100644 --- a/src/USER-VTK/dump_vtk.h +++ b/src/USER-VTK/dump_vtk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/angle_cross.h b/src/USER-YAFF/angle_cross.h index ba958f98ec..56b3579f50 100644 --- a/src/USER-YAFF/angle_cross.h +++ b/src/USER-YAFF/angle_cross.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/angle_mm3.h b/src/USER-YAFF/angle_mm3.h index 985c4bb9b4..00d0a2a073 100644 --- a/src/USER-YAFF/angle_mm3.h +++ b/src/USER-YAFF/angle_mm3.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/bond_mm3.h b/src/USER-YAFF/bond_mm3.h index 56f3136ea8..8b02ff0249 100644 --- a/src/USER-YAFF/bond_mm3.h +++ b/src/USER-YAFF/bond_mm3.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/improper_distharm.h b/src/USER-YAFF/improper_distharm.h index 0a8d34ac44..1603e57194 100644 --- a/src/USER-YAFF/improper_distharm.h +++ b/src/USER-YAFF/improper_distharm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/improper_sqdistharm.h b/src/USER-YAFF/improper_sqdistharm.h index 3aceb01a03..327f1683f6 100644 --- a/src/USER-YAFF/improper_sqdistharm.h +++ b/src/USER-YAFF/improper_sqdistharm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.h b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.h index 75686d55a2..1a8d34ea2c 100644 --- a/src/USER-YAFF/pair_lj_switch3_coulgauss_long.h +++ b/src/USER-YAFF/pair_lj_switch3_coulgauss_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.h b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.h index 35ae6c7995..f737481e35 100644 --- a/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.h +++ b/src/USER-YAFF/pair_mm3_switch3_coulgauss_long.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/VORONOI/compute_voronoi_atom.h b/src/VORONOI/compute_voronoi_atom.h index 5f2c36e67e..d38f2b5885 100644 --- a/src/VORONOI/compute_voronoi_atom.h +++ b/src/VORONOI/compute_voronoi_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/accelerator_kokkos.h b/src/accelerator_kokkos.h index 9fb9cf3690..5a510c77c3 100644 --- a/src/accelerator_kokkos.h +++ b/src/accelerator_kokkos.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/accelerator_omp.h b/src/accelerator_omp.h index 25910ae800..498f3dc417 100644 --- a/src/accelerator_omp.h +++ b/src/accelerator_omp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/angle.h b/src/angle.h index c8af8202f0..bd48a9ee83 100644 --- a/src/angle.h +++ b/src/angle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/angle_deprecated.h b/src/angle_deprecated.h index 631df37da2..4882bc3ca9 100644 --- a/src/angle_deprecated.h +++ b/src/angle_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/angle_hybrid.h b/src/angle_hybrid.h index 730d55b0e2..61193283e4 100644 --- a/src/angle_hybrid.h +++ b/src/angle_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/angle_zero.h b/src/angle_zero.h index bc1ce0725f..843991f95d 100644 --- a/src/angle_zero.h +++ b/src/angle_zero.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/arg_info.h b/src/arg_info.h index f1328985a5..7b8865a1f7 100644 --- a/src/arg_info.h +++ b/src/arg_info.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom.h b/src/atom.h index bc69d3b27a..a8166bde65 100644 --- a/src/atom.h +++ b/src/atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_map.h b/src/atom_map.h index 64e6e93689..1b98c69c26 100644 --- a/src/atom_map.h +++ b/src/atom_map.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_masks.h b/src/atom_masks.h index daad323835..84faa492fb 100644 --- a/src/atom_masks.h +++ b/src/atom_masks.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec.h b/src/atom_vec.h index a8f5f5ec22..ea2253d0c3 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_atomic.h b/src/atom_vec_atomic.h index 3caf1a5a94..61f8e8f37e 100644 --- a/src/atom_vec_atomic.h +++ b/src/atom_vec_atomic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_body.h b/src/atom_vec_body.h index 4a4c0d0e60..611f8485af 100644 --- a/src/atom_vec_body.h +++ b/src/atom_vec_body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_charge.h b/src/atom_vec_charge.h index d52b4a068a..4f14d1027e 100644 --- a/src/atom_vec_charge.h +++ b/src/atom_vec_charge.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h index 57646522ec..2f9caffb18 100644 --- a/src/atom_vec_ellipsoid.h +++ b/src/atom_vec_ellipsoid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index 2d8d5dec29..9ff8ab643e 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_line.h b/src/atom_vec_line.h index 449d8a1c04..726328a12c 100644 --- a/src/atom_vec_line.h +++ b/src/atom_vec_line.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_sphere.h b/src/atom_vec_sphere.h index bfd4e4241d..3a556c76f9 100644 --- a/src/atom_vec_sphere.h +++ b/src/atom_vec_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/atom_vec_tri.h b/src/atom_vec_tri.h index 06898f20f5..4f0151b2fd 100644 --- a/src/atom_vec_tri.h +++ b/src/atom_vec_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/balance.h b/src/balance.h index 0642fe04f6..731dde9094 100644 --- a/src/balance.h +++ b/src/balance.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/body.h b/src/body.h index c9c289792e..72e66a3a15 100644 --- a/src/body.h +++ b/src/body.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/bond.h b/src/bond.h index 74f38ad455..e148113ea9 100644 --- a/src/bond.h +++ b/src/bond.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/bond_deprecated.h b/src/bond_deprecated.h index e81b7a5b27..64fb74e545 100644 --- a/src/bond_deprecated.h +++ b/src/bond_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/bond_hybrid.h b/src/bond_hybrid.h index 19e4debfed..5a53ab47df 100644 --- a/src/bond_hybrid.h +++ b/src/bond_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/bond_zero.h b/src/bond_zero.h index b31e89edf7..fdd16d3561 100644 --- a/src/bond_zero.h +++ b/src/bond_zero.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/change_box.h b/src/change_box.h index f48edb2d9f..9527260aa9 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/citeme.h b/src/citeme.h index df87f1f9e5..4694b5b783 100644 --- a/src/citeme.h +++ b/src/citeme.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/comm.h b/src/comm.h index c8d7add79c..d283144501 100644 --- a/src/comm.h +++ b/src/comm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/comm_brick.h b/src/comm_brick.h index 6165f54de5..56fb833bab 100644 --- a/src/comm_brick.h +++ b/src/comm_brick.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/comm_tiled.h b/src/comm_tiled.h index fa2c76e6e9..45723a1d2d 100644 --- a/src/comm_tiled.h +++ b/src/comm_tiled.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/command.h b/src/command.h index 6abbc167ac..169fbc0c92 100644 --- a/src/command.h +++ b/src/command.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute.h b/src/compute.h index 71c07737d4..f0af428610 100644 --- a/src/compute.h +++ b/src/compute.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_adf.h b/src/compute_adf.h index f768013207..ab16c5b01d 100644 --- a/src/compute_adf.h +++ b/src/compute_adf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_aggregate_atom.h b/src/compute_aggregate_atom.h index 643c21e5fb..9b4d9312d0 100644 --- a/src/compute_aggregate_atom.h +++ b/src/compute_aggregate_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_angle.h b/src/compute_angle.h index b4240ff5db..6c84ace307 100644 --- a/src/compute_angle.h +++ b/src/compute_angle.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_angle_local.h b/src/compute_angle_local.h index a95e23206d..4338246cd2 100644 --- a/src/compute_angle_local.h +++ b/src/compute_angle_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_angmom_chunk.h b/src/compute_angmom_chunk.h index 66a57201d0..81f4988560 100644 --- a/src/compute_angmom_chunk.h +++ b/src/compute_angmom_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_bond.h b/src/compute_bond.h index f477b54fc5..f1e18e2bb4 100644 --- a/src/compute_bond.h +++ b/src/compute_bond.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_bond_local.h b/src/compute_bond_local.h index 17111a941c..b400456c53 100644 --- a/src/compute_bond_local.h +++ b/src/compute_bond_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_centro_atom.h b/src/compute_centro_atom.h index ffbf57a3ea..480919d4bf 100644 --- a/src/compute_centro_atom.h +++ b/src/compute_centro_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_centroid_stress_atom.h b/src/compute_centroid_stress_atom.h index 8d931c179c..88350262eb 100644 --- a/src/compute_centroid_stress_atom.h +++ b/src/compute_centroid_stress_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_chunk_atom.h b/src/compute_chunk_atom.h index 392179043a..da8e0db182 100644 --- a/src/compute_chunk_atom.h +++ b/src/compute_chunk_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_chunk_spread_atom.h b/src/compute_chunk_spread_atom.h index 80ee186450..fd5407e455 100644 --- a/src/compute_chunk_spread_atom.h +++ b/src/compute_chunk_spread_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_cluster_atom.h b/src/compute_cluster_atom.h index 253396b40e..4d6be634d1 100644 --- a/src/compute_cluster_atom.h +++ b/src/compute_cluster_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_cna_atom.h b/src/compute_cna_atom.h index 82cf8df608..e04ca3a41c 100644 --- a/src/compute_cna_atom.h +++ b/src/compute_cna_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_com.h b/src/compute_com.h index 5819b19650..d45f363749 100644 --- a/src/compute_com.h +++ b/src/compute_com.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_com_chunk.h b/src/compute_com_chunk.h index 610d6e39c3..c009f71ad2 100644 --- a/src/compute_com_chunk.h +++ b/src/compute_com_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_contact_atom.h b/src/compute_contact_atom.h index 2ce7678f56..67910ab340 100644 --- a/src/compute_contact_atom.h +++ b/src/compute_contact_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_coord_atom.h b/src/compute_coord_atom.h index 31bab18d87..dd1815dac2 100644 --- a/src/compute_coord_atom.h +++ b/src/compute_coord_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_deprecated.h b/src/compute_deprecated.h index 35c114c542..9082c72eae 100644 --- a/src/compute_deprecated.h +++ b/src/compute_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_dihedral.h b/src/compute_dihedral.h index 2debd31e3c..8f59108735 100644 --- a/src/compute_dihedral.h +++ b/src/compute_dihedral.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_dihedral_local.h b/src/compute_dihedral_local.h index 5c50a66e96..fd084dbd19 100644 --- a/src/compute_dihedral_local.h +++ b/src/compute_dihedral_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_dipole_chunk.h b/src/compute_dipole_chunk.h index b0605b1c35..19c052367b 100644 --- a/src/compute_dipole_chunk.h +++ b/src/compute_dipole_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_displace_atom.h b/src/compute_displace_atom.h index 03ff838526..212619d3ce 100644 --- a/src/compute_displace_atom.h +++ b/src/compute_displace_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_erotate_sphere.h b/src/compute_erotate_sphere.h index 8a4f1f2def..ef75084859 100644 --- a/src/compute_erotate_sphere.h +++ b/src/compute_erotate_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_erotate_sphere_atom.h b/src/compute_erotate_sphere_atom.h index 820a75df8d..ee909c9151 100644 --- a/src/compute_erotate_sphere_atom.h +++ b/src/compute_erotate_sphere_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_fragment_atom.h b/src/compute_fragment_atom.h index e5cc2a5b6f..a8bc87c64e 100644 --- a/src/compute_fragment_atom.h +++ b/src/compute_fragment_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_global_atom.h b/src/compute_global_atom.h index e2da95fcce..b47c0cce22 100644 --- a/src/compute_global_atom.h +++ b/src/compute_global_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_group_group.h b/src/compute_group_group.h index c1231f07a7..b579863a55 100644 --- a/src/compute_group_group.h +++ b/src/compute_group_group.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_gyration.h b/src/compute_gyration.h index 0aa797ae00..ad31f7b382 100644 --- a/src/compute_gyration.h +++ b/src/compute_gyration.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_gyration_chunk.h b/src/compute_gyration_chunk.h index e489de5f77..7c1c15791a 100644 --- a/src/compute_gyration_chunk.h +++ b/src/compute_gyration_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_heat_flux.h b/src/compute_heat_flux.h index b74d02961f..e31989840b 100644 --- a/src/compute_heat_flux.h +++ b/src/compute_heat_flux.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_hexorder_atom.h b/src/compute_hexorder_atom.h index 39af576cb7..194ae35c4e 100644 --- a/src/compute_hexorder_atom.h +++ b/src/compute_hexorder_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_improper.h b/src/compute_improper.h index 34214f07a9..7b66bd9aca 100644 --- a/src/compute_improper.h +++ b/src/compute_improper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_improper_local.h b/src/compute_improper_local.h index 29530d603d..1ff26b912e 100644 --- a/src/compute_improper_local.h +++ b/src/compute_improper_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_inertia_chunk.h b/src/compute_inertia_chunk.h index 8608b352b1..bf42bb66f3 100644 --- a/src/compute_inertia_chunk.h +++ b/src/compute_inertia_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_ke.h b/src/compute_ke.h index fb5bf427df..6561146d29 100644 --- a/src/compute_ke.h +++ b/src/compute_ke.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_ke_atom.h b/src/compute_ke_atom.h index a8fae9918d..9444aec7f6 100644 --- a/src/compute_ke_atom.h +++ b/src/compute_ke_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_msd.h b/src/compute_msd.h index 63abf4c4eb..3022369256 100644 --- a/src/compute_msd.h +++ b/src/compute_msd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_msd_chunk.h b/src/compute_msd_chunk.h index 216fde33bc..657cf45ab4 100644 --- a/src/compute_msd_chunk.h +++ b/src/compute_msd_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_omega_chunk.h b/src/compute_omega_chunk.h index 01fceb178e..ae4fb9d682 100644 --- a/src/compute_omega_chunk.h +++ b/src/compute_omega_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_orientorder_atom.h b/src/compute_orientorder_atom.h index 4fc122c5c8..7ddc45253a 100644 --- a/src/compute_orientorder_atom.h +++ b/src/compute_orientorder_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_pair.h b/src/compute_pair.h index 57d52a5bab..565b25c84d 100644 --- a/src/compute_pair.h +++ b/src/compute_pair.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_pair_local.h b/src/compute_pair_local.h index 3bd1dccd1a..e23cd2e67a 100644 --- a/src/compute_pair_local.h +++ b/src/compute_pair_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_pe.h b/src/compute_pe.h index 4048166939..21c0eaaebc 100644 --- a/src/compute_pe.h +++ b/src/compute_pe.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_pe_atom.h b/src/compute_pe_atom.h index 924399e867..781aeecc0f 100644 --- a/src/compute_pe_atom.h +++ b/src/compute_pe_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_pressure.h b/src/compute_pressure.h index 235ccbe1eb..fc67b1b699 100644 --- a/src/compute_pressure.h +++ b/src/compute_pressure.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h index cab9d3ea1b..dc2bf92817 100644 --- a/src/compute_property_atom.h +++ b/src/compute_property_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_property_chunk.h b/src/compute_property_chunk.h index 48211ec91b..aef41ce719 100644 --- a/src/compute_property_chunk.h +++ b/src/compute_property_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_property_local.h b/src/compute_property_local.h index 855fb9d3e9..085e2e1f7a 100644 --- a/src/compute_property_local.h +++ b/src/compute_property_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_rdf.h b/src/compute_rdf.h index 85f6ce6ad2..f1cbc0e512 100644 --- a/src/compute_rdf.h +++ b/src/compute_rdf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_reduce.h b/src/compute_reduce.h index 53568ac942..09a83ace11 100644 --- a/src/compute_reduce.h +++ b/src/compute_reduce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_reduce_chunk.h b/src/compute_reduce_chunk.h index 525bb0c7a7..886dc61542 100644 --- a/src/compute_reduce_chunk.h +++ b/src/compute_reduce_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_reduce_region.h b/src/compute_reduce_region.h index 2c86cfd782..02f58b7424 100644 --- a/src/compute_reduce_region.h +++ b/src/compute_reduce_region.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_slice.h b/src/compute_slice.h index 8cc0f9896d..3ffc5d52b5 100644 --- a/src/compute_slice.h +++ b/src/compute_slice.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_stress_atom.h b/src/compute_stress_atom.h index f470a59031..b22b021f69 100644 --- a/src/compute_stress_atom.h +++ b/src/compute_stress_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp.h b/src/compute_temp.h index 1550ae7a99..520c7e5027 100644 --- a/src/compute_temp.h +++ b/src/compute_temp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_chunk.h b/src/compute_temp_chunk.h index d47d6d79ec..ac3c76b660 100644 --- a/src/compute_temp_chunk.h +++ b/src/compute_temp_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_com.h b/src/compute_temp_com.h index 67bbdc39a9..95c3d41b7b 100644 --- a/src/compute_temp_com.h +++ b/src/compute_temp_com.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_deform.h b/src/compute_temp_deform.h index 030294e1c8..836a858a70 100644 --- a/src/compute_temp_deform.h +++ b/src/compute_temp_deform.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_partial.h b/src/compute_temp_partial.h index 62641d4799..d4a6e78352 100644 --- a/src/compute_temp_partial.h +++ b/src/compute_temp_partial.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_profile.h b/src/compute_temp_profile.h index f0c07bbd48..d82fbd780e 100644 --- a/src/compute_temp_profile.h +++ b/src/compute_temp_profile.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index ab888ec31d..cebf73c001 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_region.h b/src/compute_temp_region.h index fd494ab8d1..a7cc343a91 100644 --- a/src/compute_temp_region.h +++ b/src/compute_temp_region.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h index c15e02ffbb..2bd6553033 100644 --- a/src/compute_temp_sphere.h +++ b/src/compute_temp_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_torque_chunk.h b/src/compute_torque_chunk.h index 9e035570ee..e05be3b578 100644 --- a/src/compute_torque_chunk.h +++ b/src/compute_torque_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_vacf.h b/src/compute_vacf.h index 6fa013803c..4e1ed0c858 100644 --- a/src/compute_vacf.h +++ b/src/compute_vacf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/compute_vcm_chunk.h b/src/compute_vcm_chunk.h index 7096dec462..eeaf017502 100644 --- a/src/compute_vcm_chunk.h +++ b/src/compute_vcm_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/create_atoms.h b/src/create_atoms.h index deb155b96a..0d3ba58721 100644 --- a/src/create_atoms.h +++ b/src/create_atoms.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/create_bonds.h b/src/create_bonds.h index d2d50c86c6..b39ed00832 100644 --- a/src/create_bonds.h +++ b/src/create_bonds.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/create_box.h b/src/create_box.h index 26a2be6fe1..2d9eb10f26 100644 --- a/src/create_box.h +++ b/src/create_box.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/delete_atoms.h b/src/delete_atoms.h index 5ff1d12f65..f6e889fd80 100644 --- a/src/delete_atoms.h +++ b/src/delete_atoms.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/delete_bonds.h b/src/delete_bonds.h index 5c56a67f68..563da5057a 100644 --- a/src/delete_bonds.h +++ b/src/delete_bonds.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/deprecated.h b/src/deprecated.h index d5997d7199..42d8cca42f 100644 --- a/src/deprecated.h +++ b/src/deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dihedral.h b/src/dihedral.h index c7fd459f1e..000fd2daba 100644 --- a/src/dihedral.h +++ b/src/dihedral.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dihedral_deprecated.h b/src/dihedral_deprecated.h index 216791f623..8aa95d4525 100644 --- a/src/dihedral_deprecated.h +++ b/src/dihedral_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dihedral_hybrid.h b/src/dihedral_hybrid.h index 2804060af4..6904e8ecbe 100644 --- a/src/dihedral_hybrid.h +++ b/src/dihedral_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dihedral_zero.h b/src/dihedral_zero.h index e97f8f6641..4609ba60d9 100644 --- a/src/dihedral_zero.h +++ b/src/dihedral_zero.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/displace_atoms.h b/src/displace_atoms.h index c2c2e8306f..fecbc0ade3 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/domain.h b/src/domain.h index 5009a67d28..89b326f83b 100644 --- a/src/domain.h +++ b/src/domain.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump.h b/src/dump.h index fb6627a2b3..351365fa0e 100644 --- a/src/dump.h +++ b/src/dump.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_atom.h b/src/dump_atom.h index 47c2e0699b..5d95cff7b9 100644 --- a/src/dump_atom.h +++ b/src/dump_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_cfg.h b/src/dump_cfg.h index 3a51bc8dd6..f42cbf4611 100644 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_custom.h b/src/dump_custom.h index 2677f21dae..f8890c036a 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_dcd.h b/src/dump_dcd.h index 3f59490b11..7b32b8f17c 100644 --- a/src/dump_dcd.h +++ b/src/dump_dcd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_deprecated.h b/src/dump_deprecated.h index 51235ba4e4..7b2f35728f 100644 --- a/src/dump_deprecated.h +++ b/src/dump_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_image.h b/src/dump_image.h index fb560e252d..528aa9a8f7 100644 --- a/src/dump_image.h +++ b/src/dump_image.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_local.h b/src/dump_local.h index 80f0692bb0..470f37a99c 100644 --- a/src/dump_local.h +++ b/src/dump_local.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_movie.h b/src/dump_movie.h index 78c05bdef4..e65d11cbc4 100644 --- a/src/dump_movie.h +++ b/src/dump_movie.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/dump_xyz.h b/src/dump_xyz.h index 80719f6a84..1733ce3c48 100644 --- a/src/dump_xyz.h +++ b/src/dump_xyz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/error.h b/src/error.h index dedebc4148..169ed4c6dd 100644 --- a/src/error.h +++ b/src/error.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/exceptions.h b/src/exceptions.h index db17a6526a..53d49b6fde 100644 --- a/src/exceptions.h +++ b/src/exceptions.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/file_writer.h b/src/file_writer.h index 02eef6ad70..0a18bbd1f7 100644 --- a/src/file_writer.h +++ b/src/file_writer.h @@ -1,7 +1,7 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/finish.h b/src/finish.h index dc69d41eb8..08ee4e571a 100644 --- a/src/finish.h +++ b/src/finish.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix.h b/src/fix.h index 31add74ee4..c8e5d0900e 100644 --- a/src/fix.h +++ b/src/fix.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_adapt.h b/src/fix_adapt.h index 1872e8b3a0..18e1837160 100644 --- a/src/fix_adapt.h +++ b/src/fix_adapt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_addforce.h b/src/fix_addforce.h index f06ed5ed4c..da7890bf6e 100644 --- a/src/fix_addforce.h +++ b/src/fix_addforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h index 42aa282d53..a24da0878e 100644 --- a/src/fix_ave_atom.h +++ b/src/fix_ave_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_chunk.h b/src/fix_ave_chunk.h index debab13165..09424f21c7 100644 --- a/src/fix_ave_chunk.h +++ b/src/fix_ave_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h index 05fd6b6576..3a44ed141a 100644 --- a/src/fix_ave_correlate.h +++ b/src/fix_ave_correlate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index 35bdfcfa7f..52c42a52e7 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_histo_weight.h b/src/fix_ave_histo_weight.h index 6ec3ba5721..f7b54204bb 100644 --- a/src/fix_ave_histo_weight.h +++ b/src/fix_ave_histo_weight.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 01228f9e55..a1658e0037 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_aveforce.h b/src/fix_aveforce.h index a6228be7df..0c6c28224f 100644 --- a/src/fix_aveforce.h +++ b/src/fix_aveforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_balance.h b/src/fix_balance.h index 76cbea258a..588ce9892f 100644 --- a/src/fix_balance.h +++ b/src/fix_balance.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_box_relax.h b/src/fix_box_relax.h index 874fa169b0..19fa2f8db5 100644 --- a/src/fix_box_relax.h +++ b/src/fix_box_relax.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_controller.h b/src/fix_controller.h index 7431cb16d2..1c98b3bbf9 100644 --- a/src/fix_controller.h +++ b/src/fix_controller.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_deform.h b/src/fix_deform.h index 7f70c3a3d2..ebec11a57a 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_deprecated.h b/src/fix_deprecated.h index a7267be04b..aa2bcad6c2 100644 --- a/src/fix_deprecated.h +++ b/src/fix_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_drag.h b/src/fix_drag.h index fa444a4b35..ff4bae1a66 100644 --- a/src/fix_drag.h +++ b/src/fix_drag.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index 6df6913895..54638d32aa 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_dummy.h b/src/fix_dummy.h index ea8ce97c3a..485d676bb5 100644 --- a/src/fix_dummy.h +++ b/src/fix_dummy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_enforce2d.h b/src/fix_enforce2d.h index a3f79309dc..6cb0dada35 100644 --- a/src/fix_enforce2d.h +++ b/src/fix_enforce2d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_external.h b/src/fix_external.h index 1485e0a60b..33da5ea526 100644 --- a/src/fix_external.h +++ b/src/fix_external.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_gravity.h b/src/fix_gravity.h index ba6a61ee0d..f1b1995ae4 100644 --- a/src/fix_gravity.h +++ b/src/fix_gravity.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_group.h b/src/fix_group.h index f3fecac316..9e2dd370bc 100644 --- a/src/fix_group.h +++ b/src/fix_group.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_halt.h b/src/fix_halt.h index ae1b8aeda7..67f8be6d3c 100644 --- a/src/fix_halt.h +++ b/src/fix_halt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_heat.h b/src/fix_heat.h index a5064c5947..31594e7de9 100644 --- a/src/fix_heat.h +++ b/src/fix_heat.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_indent.h b/src/fix_indent.h index c3a8882734..9cf833cb54 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_langevin.h b/src/fix_langevin.h index 868b71a44d..8d787fcd86 100644 --- a/src/fix_langevin.h +++ b/src/fix_langevin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_lineforce.h b/src/fix_lineforce.h index 80e1cd2961..0d56743047 100644 --- a/src/fix_lineforce.h +++ b/src/fix_lineforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_minimize.h b/src/fix_minimize.h index 615eb6a095..6b9aaa7936 100644 --- a/src/fix_minimize.h +++ b/src/fix_minimize.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_momentum.h b/src/fix_momentum.h index 6e17f75a7f..1c0de195d4 100644 --- a/src/fix_momentum.h +++ b/src/fix_momentum.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_move.h b/src/fix_move.h index 740b051be0..67b50ec3fa 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_neigh_history.h b/src/fix_neigh_history.h index 2cbdcef97a..57391cfa9a 100644 --- a/src/fix_neigh_history.h +++ b/src/fix_neigh_history.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nh.h b/src/fix_nh.h index f137ecbe55..f784afefd8 100644 --- a/src/fix_nh.h +++ b/src/fix_nh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nh_sphere.h b/src/fix_nh_sphere.h index 2e0394064e..a4710f2691 100644 --- a/src/fix_nh_sphere.h +++ b/src/fix_nh_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nph.h b/src/fix_nph.h index 45b93c7422..eb20844a1b 100644 --- a/src/fix_nph.h +++ b/src/fix_nph.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nph_sphere.h b/src/fix_nph_sphere.h index 50000446f2..5bfa68b2fc 100644 --- a/src/fix_nph_sphere.h +++ b/src/fix_nph_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_npt.h b/src/fix_npt.h index ea2db9dd26..137c44e8bc 100644 --- a/src/fix_npt.h +++ b/src/fix_npt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_npt_sphere.h b/src/fix_npt_sphere.h index 7481130afe..4d49399cff 100644 --- a/src/fix_npt_sphere.h +++ b/src/fix_npt_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_numdiff.h b/src/fix_numdiff.h index e4a2d06afd..e00edf3ee2 100644 --- a/src/fix_numdiff.h +++ b/src/fix_numdiff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nve.h b/src/fix_nve.h index f4f3c4d4b7..b453c0d2b1 100644 --- a/src/fix_nve.h +++ b/src/fix_nve.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h index aefececd72..5b69d1532c 100644 --- a/src/fix_nve_limit.h +++ b/src/fix_nve_limit.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nve_noforce.h b/src/fix_nve_noforce.h index 1eacb2b1c2..da4e8c5246 100644 --- a/src/fix_nve_noforce.h +++ b/src/fix_nve_noforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index 777360081a..bbd2245b99 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nvt.h b/src/fix_nvt.h index 4903312f8d..ec5707e4ea 100644 --- a/src/fix_nvt.h +++ b/src/fix_nvt.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_nvt_sphere.h b/src/fix_nvt_sphere.h index f1fecc92bf..0c34f89186 100644 --- a/src/fix_nvt_sphere.h +++ b/src/fix_nvt_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_planeforce.h b/src/fix_planeforce.h index f507d8465a..f0c3fa3de6 100644 --- a/src/fix_planeforce.h +++ b/src/fix_planeforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_press_berendsen.h b/src/fix_press_berendsen.h index 79516ff6bc..1849957c6b 100644 --- a/src/fix_press_berendsen.h +++ b/src/fix_press_berendsen.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_print.h b/src/fix_print.h index 7b5eaa2b62..c806e50385 100644 --- a/src/fix_print.h +++ b/src/fix_print.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_property_atom.h b/src/fix_property_atom.h index 9e0236f61e..68ca40d41e 100644 --- a/src/fix_property_atom.h +++ b/src/fix_property_atom.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_read_restart.h b/src/fix_read_restart.h index 963cde9771..f33d08680a 100644 --- a/src/fix_read_restart.h +++ b/src/fix_read_restart.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_recenter.h b/src/fix_recenter.h index ff6c5e4212..6f0f3f9e13 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_respa.h b/src/fix_respa.h index 96b5b5531b..62788ea187 100644 --- a/src/fix_respa.h +++ b/src/fix_respa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_restrain.h b/src/fix_restrain.h index fa78f676e3..63f64ba4bf 100644 --- a/src/fix_restrain.h +++ b/src/fix_restrain.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_setforce.h b/src/fix_setforce.h index eefae562a3..9b479b6cf0 100644 --- a/src/fix_setforce.h +++ b/src/fix_setforce.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_spring.h b/src/fix_spring.h index 1bb551068b..8373dc80b4 100644 --- a/src/fix_spring.h +++ b/src/fix_spring.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_spring_chunk.h b/src/fix_spring_chunk.h index 2955d4b67d..87d798e7f9 100644 --- a/src/fix_spring_chunk.h +++ b/src/fix_spring_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_spring_rg.h b/src/fix_spring_rg.h index a46df0fa75..a19a852d80 100644 --- a/src/fix_spring_rg.h +++ b/src/fix_spring_rg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_spring_self.h b/src/fix_spring_self.h index 0e5ddda127..a4ad306e8d 100644 --- a/src/fix_spring_self.h +++ b/src/fix_spring_self.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_store.h b/src/fix_store.h index 437c14f0f7..ce0055147a 100644 --- a/src/fix_store.h +++ b/src/fix_store.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_store_force.h b/src/fix_store_force.h index bcbb75a7c8..197fa19c2c 100644 --- a/src/fix_store_force.h +++ b/src/fix_store_force.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_store_state.h b/src/fix_store_state.h index 6397f16ef7..8deb407408 100644 --- a/src/fix_store_state.h +++ b/src/fix_store_state.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_temp_berendsen.h b/src/fix_temp_berendsen.h index 5657b0fd97..625408b1b9 100644 --- a/src/fix_temp_berendsen.h +++ b/src/fix_temp_berendsen.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_temp_csld.h b/src/fix_temp_csld.h index 8937ad43db..d4e5f206d7 100644 --- a/src/fix_temp_csld.h +++ b/src/fix_temp_csld.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_temp_csvr.h b/src/fix_temp_csvr.h index 44d6630525..da61789f6c 100644 --- a/src/fix_temp_csvr.h +++ b/src/fix_temp_csvr.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_temp_rescale.h b/src/fix_temp_rescale.h index b90ca905cb..3f2f0ac174 100644 --- a/src/fix_temp_rescale.h +++ b/src/fix_temp_rescale.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_tmd.h b/src/fix_tmd.h index f23a64a027..c1151734d7 100644 --- a/src/fix_tmd.h +++ b/src/fix_tmd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_vector.h b/src/fix_vector.h index ff962b235b..8859870b71 100644 --- a/src/fix_vector.h +++ b/src/fix_vector.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_viscous.h b/src/fix_viscous.h index 7d42a66cba..7ce58c1c86 100644 --- a/src/fix_viscous.h +++ b/src/fix_viscous.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall.h b/src/fix_wall.h index b2bdc2e27c..680fb50eb7 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_harmonic.h b/src/fix_wall_harmonic.h index b9efea7400..32a458c1ba 100644 --- a/src/fix_wall_harmonic.h +++ b/src/fix_wall_harmonic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_lj1043.h b/src/fix_wall_lj1043.h index a7fdf5ae18..502fac293d 100644 --- a/src/fix_wall_lj1043.h +++ b/src/fix_wall_lj1043.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_lj126.h b/src/fix_wall_lj126.h index a91ebf6f20..8f833fa077 100644 --- a/src/fix_wall_lj126.h +++ b/src/fix_wall_lj126.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_lj93.h b/src/fix_wall_lj93.h index 3763a02910..1942464997 100644 --- a/src/fix_wall_lj93.h +++ b/src/fix_wall_lj93.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_morse.h b/src/fix_wall_morse.h index a7359e9cde..1106ee85be 100644 --- a/src/fix_wall_morse.h +++ b/src/fix_wall_morse.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index 5abfb6afcf..409cc984ae 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h index 663a12b257..36b19bb2ff 100644 --- a/src/fix_wall_region.h +++ b/src/fix_wall_region.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/force.h b/src/force.h index b087b8e187..e2ad12be97 100644 --- a/src/force.h +++ b/src/force.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/group.h b/src/group.h index 37199712c5..17f9b4d564 100644 --- a/src/group.h +++ b/src/group.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/image.h b/src/image.h index 1de455d4bd..5a08430fc9 100644 --- a/src/image.h +++ b/src/image.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance.h b/src/imbalance.h index 6e4971bf49..cd6ad81389 100644 --- a/src/imbalance.h +++ b/src/imbalance.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance_group.h b/src/imbalance_group.h index 605706bc55..2eec6eb494 100644 --- a/src/imbalance_group.h +++ b/src/imbalance_group.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance_neigh.h b/src/imbalance_neigh.h index c0bb35488e..40dc090030 100644 --- a/src/imbalance_neigh.h +++ b/src/imbalance_neigh.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance_store.h b/src/imbalance_store.h index 935b0aa0bc..2328c61966 100644 --- a/src/imbalance_store.h +++ b/src/imbalance_store.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance_time.h b/src/imbalance_time.h index 9190426965..3617bf1abd 100644 --- a/src/imbalance_time.h +++ b/src/imbalance_time.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/imbalance_var.h b/src/imbalance_var.h index 2db9a5f170..6c852f00d2 100644 --- a/src/imbalance_var.h +++ b/src/imbalance_var.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/improper.h b/src/improper.h index 1b3c9b6786..baaaee29e5 100644 --- a/src/improper.h +++ b/src/improper.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/improper_deprecated.h b/src/improper_deprecated.h index 04ecfeeb98..6f3e777dcb 100644 --- a/src/improper_deprecated.h +++ b/src/improper_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/improper_hybrid.h b/src/improper_hybrid.h index 3e5423b173..f208a7055e 100644 --- a/src/improper_hybrid.h +++ b/src/improper_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/improper_zero.h b/src/improper_zero.h index 1a70059070..78c560ba13 100644 --- a/src/improper_zero.h +++ b/src/improper_zero.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/info.h b/src/info.h index 386d38c39f..0aa61ac002 100644 --- a/src/info.h +++ b/src/info.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/input.h b/src/input.h index 59be026640..59369ac7cf 100644 --- a/src/input.h +++ b/src/input.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/integrate.h b/src/integrate.h index c9aa92e097..eb4e3107f9 100644 --- a/src/integrate.h +++ b/src/integrate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/irregular.h b/src/irregular.h index c6ea7bc691..1a30cb05e7 100644 --- a/src/irregular.h +++ b/src/irregular.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/kspace.h b/src/kspace.h index 4777963d8a..8f081487a6 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/kspace_deprecated.h b/src/kspace_deprecated.h index ca5205b9e3..ff127ea492 100644 --- a/src/kspace_deprecated.h +++ b/src/kspace_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lammps.h b/src/lammps.h index 553db6597e..b8e084edba 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lammpsplugin.h b/src/lammpsplugin.h index e544e8bffe..0884ac8f84 100644 --- a/src/lammpsplugin.h +++ b/src/lammpsplugin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lattice.h b/src/lattice.h index 65cba9f3ca..eae97c3506 100644 --- a/src/lattice.h +++ b/src/lattice.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/library.h b/src/library.h index 8db19f7eb2..4cfaf2ce44 100644 --- a/src/library.h +++ b/src/library.h @@ -1,6 +1,6 @@ /* -*- c -*- ------------------------------------------------------------ LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lmppython.h b/src/lmppython.h index 5254acb4e3..57a77628a7 100644 --- a/src/lmppython.h +++ b/src/lmppython.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lmprestart.h b/src/lmprestart.h index ecdd272d81..745a1c45d1 100644 --- a/src/lmprestart.h +++ b/src/lmprestart.h @@ -1,6 +1,6 @@ -/* ---------------------------------------------------------------------- +/* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/lmptype.h b/src/lmptype.h index 3e6f90f58e..3134624004 100644 --- a/src/lmptype.h +++ b/src/lmptype.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/math_const.h b/src/math_const.h index 53a485bf99..6d24b63569 100644 --- a/src/math_const.h +++ b/src/math_const.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/math_eigen.h b/src/math_eigen.h index 7abf7eb539..4ecc0d6fc9 100644 --- a/src/math_eigen.h +++ b/src/math_eigen.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/math_eigen_impl.h b/src/math_eigen_impl.h index 98027812dd..26867083f7 100644 --- a/src/math_eigen_impl.h +++ b/src/math_eigen_impl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/math_extra.h b/src/math_extra.h index 767ae3f531..90b8f8a686 100644 --- a/src/math_extra.h +++ b/src/math_extra.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/math_special.h b/src/math_special.h index 59517a2f76..cf435db281 100644 --- a/src/math_special.h +++ b/src/math_special.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/memory.h b/src/memory.h index d85eb64a36..b3ce1aa667 100644 --- a/src/memory.h +++ b/src/memory.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min.h b/src/min.h index 438a775d16..5d94519e5a 100644 --- a/src/min.h +++ b/src/min.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_cg.h b/src/min_cg.h index bf199408e3..269726f803 100644 --- a/src/min_cg.h +++ b/src/min_cg.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_fire.h b/src/min_fire.h index 79e5cb7c14..18d64ff310 100644 --- a/src/min_fire.h +++ b/src/min_fire.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_fire_old.h b/src/min_fire_old.h index 5d7afaa627..f46ff463b5 100644 --- a/src/min_fire_old.h +++ b/src/min_fire_old.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_hftn.h b/src/min_hftn.h index 891639e2ac..afdfd005d4 100644 --- a/src/min_hftn.h +++ b/src/min_hftn.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_linesearch.h b/src/min_linesearch.h index 27e34fe6eb..ded5eb9871 100644 --- a/src/min_linesearch.h +++ b/src/min_linesearch.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_quickmin.h b/src/min_quickmin.h index a4766bbcdc..5697b9e5c9 100644 --- a/src/min_quickmin.h +++ b/src/min_quickmin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/min_sd.h b/src/min_sd.h index 705103b4d2..65fc3cfd8e 100644 --- a/src/min_sd.h +++ b/src/min_sd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/minimize.h b/src/minimize.h index 32d08c5f52..1ea4d3f5ff 100644 --- a/src/minimize.h +++ b/src/minimize.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/modify.h b/src/modify.h index 0f4f7e32d2..c756800b12 100644 --- a/src/modify.h +++ b/src/modify.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/molecule.h b/src/molecule.h index 00b2b123a0..2beab65b4a 100644 --- a/src/molecule.h +++ b/src/molecule.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/mpiio.h b/src/mpiio.h index 03c6ff6744..839d748f9f 100644 --- a/src/mpiio.h +++ b/src/mpiio.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/my_page.h b/src/my_page.h index 0e4375ed7f..d9617d5213 100644 --- a/src/my_page.h +++ b/src/my_page.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/my_pool_chunk.h b/src/my_pool_chunk.h index a9bcbd3e80..cfd4a9fa7b 100644 --- a/src/my_pool_chunk.h +++ b/src/my_pool_chunk.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nbin.h b/src/nbin.h index 4bfe579514..7bd5414315 100644 --- a/src/nbin.h +++ b/src/nbin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nbin_standard.h b/src/nbin_standard.h index 14b587c24c..1116653050 100644 --- a/src/nbin_standard.h +++ b/src/nbin_standard.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/neigh_list.h b/src/neigh_list.h index ad8e104f2a..88d86aaffd 100644 --- a/src/neigh_list.h +++ b/src/neigh_list.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/neigh_request.h b/src/neigh_request.h index 55fb533171..c58c17b4c5 100644 --- a/src/neigh_request.h +++ b/src/neigh_request.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/neighbor.h b/src/neighbor.h index 0babfae9ef..0dd809bcdb 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair.h b/src/npair.h index ec75042302..54132e6685 100644 --- a/src/npair.h +++ b/src/npair.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_copy.h b/src/npair_copy.h index 62467c2d20..2214ad754d 100644 --- a/src/npair_copy.h +++ b/src/npair_copy.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_bin.h b/src/npair_full_bin.h index 6dd9d2d94e..f744a9f227 100644 --- a/src/npair_full_bin.h +++ b/src/npair_full_bin.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_bin_atomonly.h b/src/npair_full_bin_atomonly.h index 804637b51e..6f4e7ce6e2 100644 --- a/src/npair_full_bin_atomonly.h +++ b/src/npair_full_bin_atomonly.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_bin_ghost.h b/src/npair_full_bin_ghost.h index c7ea139c23..f115875ae0 100644 --- a/src/npair_full_bin_ghost.h +++ b/src/npair_full_bin_ghost.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_multi.h b/src/npair_full_multi.h index 481a673060..0f5079f5e8 100644 --- a/src/npair_full_multi.h +++ b/src/npair_full_multi.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_nsq.h b/src/npair_full_nsq.h index 95623d65d4..c6b4fabc83 100644 --- a/src/npair_full_nsq.h +++ b/src/npair_full_nsq.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_full_nsq_ghost.h b/src/npair_full_nsq_ghost.h index 8489221f8c..16ecb4e0aa 100644 --- a/src/npair_full_nsq_ghost.h +++ b/src/npair_full_nsq_ghost.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_bin_atomonly_newton.h b/src/npair_half_bin_atomonly_newton.h index ad2e955dba..7388fc8674 100644 --- a/src/npair_half_bin_atomonly_newton.h +++ b/src/npair_half_bin_atomonly_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_bin_newtoff.h b/src/npair_half_bin_newtoff.h index f6c14d9300..ba10094917 100644 --- a/src/npair_half_bin_newtoff.h +++ b/src/npair_half_bin_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_bin_newtoff_ghost.h b/src/npair_half_bin_newtoff_ghost.h index 02c19d469a..b0b1e2dd58 100644 --- a/src/npair_half_bin_newtoff_ghost.h +++ b/src/npair_half_bin_newtoff_ghost.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_bin_newton.h b/src/npair_half_bin_newton.h index 57b1267019..b1bec64e6b 100644 --- a/src/npair_half_bin_newton.h +++ b/src/npair_half_bin_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_bin_newton_tri.h b/src/npair_half_bin_newton_tri.h index 56c5180cc7..f1fe9a47f7 100644 --- a/src/npair_half_bin_newton_tri.h +++ b/src/npair_half_bin_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_multi_newtoff.h b/src/npair_half_multi_newtoff.h index 593e2c1d9d..9341e69fb4 100644 --- a/src/npair_half_multi_newtoff.h +++ b/src/npair_half_multi_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_multi_newton.h b/src/npair_half_multi_newton.h index 427b771780..3186781357 100644 --- a/src/npair_half_multi_newton.h +++ b/src/npair_half_multi_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_multi_newton_tri.h b/src/npair_half_multi_newton_tri.h index 6fe7577259..d0967af231 100644 --- a/src/npair_half_multi_newton_tri.h +++ b/src/npair_half_multi_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_nsq_newtoff.h b/src/npair_half_nsq_newtoff.h index 6904d602bd..09d177c503 100644 --- a/src/npair_half_nsq_newtoff.h +++ b/src/npair_half_nsq_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_nsq_newtoff_ghost.h b/src/npair_half_nsq_newtoff_ghost.h index 75afa9f7f5..2ccf23e586 100644 --- a/src/npair_half_nsq_newtoff_ghost.h +++ b/src/npair_half_nsq_newtoff_ghost.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_nsq_newton.h b/src/npair_half_nsq_newton.h index 60bd2f89d0..82a786b91e 100644 --- a/src/npair_half_nsq_newton.h +++ b/src/npair_half_nsq_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_respa_bin_newtoff.h b/src/npair_half_respa_bin_newtoff.h index fa48f84ad7..afa528ec93 100644 --- a/src/npair_half_respa_bin_newtoff.h +++ b/src/npair_half_respa_bin_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_respa_bin_newton.h b/src/npair_half_respa_bin_newton.h index d74a653a24..43550d5ad6 100644 --- a/src/npair_half_respa_bin_newton.h +++ b/src/npair_half_respa_bin_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_respa_bin_newton_tri.h b/src/npair_half_respa_bin_newton_tri.h index 44c8313609..0a1c6ec48e 100644 --- a/src/npair_half_respa_bin_newton_tri.h +++ b/src/npair_half_respa_bin_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_respa_nsq_newtoff.h b/src/npair_half_respa_nsq_newtoff.h index ffa7a5a6d5..b8667d0e8b 100644 --- a/src/npair_half_respa_nsq_newtoff.h +++ b/src/npair_half_respa_nsq_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_respa_nsq_newton.h b/src/npair_half_respa_nsq_newton.h index 45a9a9753f..80d038b565 100644 --- a/src/npair_half_respa_nsq_newton.h +++ b/src/npair_half_respa_nsq_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_bin_newtoff.h b/src/npair_half_size_bin_newtoff.h index b874c6654c..02d021c4f8 100644 --- a/src/npair_half_size_bin_newtoff.h +++ b/src/npair_half_size_bin_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_bin_newton.h b/src/npair_half_size_bin_newton.h index 1e7665aa6b..641cb90d39 100644 --- a/src/npair_half_size_bin_newton.h +++ b/src/npair_half_size_bin_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_bin_newton_tri.h b/src/npair_half_size_bin_newton_tri.h index ccf85e8f0d..e4203f5322 100644 --- a/src/npair_half_size_bin_newton_tri.h +++ b/src/npair_half_size_bin_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newtoff.cpp b/src/npair_half_size_multi_newtoff.cpp index f1bc93de38..e419f59d2f 100644 --- a/src/npair_half_size_multi_newtoff.cpp +++ b/src/npair_half_size_multi_newtoff.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newtoff.h b/src/npair_half_size_multi_newtoff.h index f255f9a17d..e8df7f1a1a 100644 --- a/src/npair_half_size_multi_newtoff.h +++ b/src/npair_half_size_multi_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newton.cpp b/src/npair_half_size_multi_newton.cpp index 22a02899ca..4e8bc267f7 100644 --- a/src/npair_half_size_multi_newton.cpp +++ b/src/npair_half_size_multi_newton.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newton.h b/src/npair_half_size_multi_newton.h index 3e3d6f4180..2bae728057 100644 --- a/src/npair_half_size_multi_newton.h +++ b/src/npair_half_size_multi_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newton_tri.cpp b/src/npair_half_size_multi_newton_tri.cpp index 268ca81f3d..785255f183 100644 --- a/src/npair_half_size_multi_newton_tri.cpp +++ b/src/npair_half_size_multi_newton_tri.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_multi_newton_tri.h b/src/npair_half_size_multi_newton_tri.h index 6afe8201a7..6d9be4955b 100644 --- a/src/npair_half_size_multi_newton_tri.h +++ b/src/npair_half_size_multi_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_nsq_newtoff.h b/src/npair_half_size_nsq_newtoff.h index 51349a8a5d..1c94c2d22a 100644 --- a/src/npair_half_size_nsq_newtoff.h +++ b/src/npair_half_size_nsq_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_half_size_nsq_newton.h b/src/npair_half_size_nsq_newton.h index 333ff94379..87869d976b 100644 --- a/src/npair_half_size_nsq_newton.h +++ b/src/npair_half_size_nsq_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_halffull_newtoff.h b/src/npair_halffull_newtoff.h index 2f711629be..ec1d2dcdcc 100644 --- a/src/npair_halffull_newtoff.h +++ b/src/npair_halffull_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_halffull_newton.h b/src/npair_halffull_newton.h index dc82225216..7470d5491d 100644 --- a/src/npair_halffull_newton.h +++ b/src/npair_halffull_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_skip.h b/src/npair_skip.h index 5fde8e7039..6e81286646 100644 --- a/src/npair_skip.h +++ b/src/npair_skip.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_skip_respa.h b/src/npair_skip_respa.h index a309d47124..2b04f2b0ee 100644 --- a/src/npair_skip_respa.h +++ b/src/npair_skip_respa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_skip_size.h b/src/npair_skip_size.h index ae3f77d6ed..61eab9ba4f 100644 --- a/src/npair_skip_size.h +++ b/src/npair_skip_size.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_skip_size_off2on.h b/src/npair_skip_size_off2on.h index 59fc0878ef..4e9649496f 100644 --- a/src/npair_skip_size_off2on.h +++ b/src/npair_skip_size_off2on.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/npair_skip_size_off2on_oneside.h b/src/npair_skip_size_off2on_oneside.h index f7ae2338b7..1b83a97aa1 100644 --- a/src/npair_skip_size_off2on_oneside.h +++ b/src/npair_skip_size_off2on_oneside.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil.h b/src/nstencil.h index 75e678b483..d35035eb90 100644 --- a/src/nstencil.h +++ b/src/nstencil.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_bin_2d.h b/src/nstencil_full_bin_2d.h index d85063596f..25fe7a450e 100644 --- a/src/nstencil_full_bin_2d.h +++ b/src/nstencil_full_bin_2d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_bin_3d.h b/src/nstencil_full_bin_3d.h index facddd8ead..674333fc29 100644 --- a/src/nstencil_full_bin_3d.h +++ b/src/nstencil_full_bin_3d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_ghost_bin_2d.h b/src/nstencil_full_ghost_bin_2d.h index 531c7d2eb1..6f6289d0a4 100644 --- a/src/nstencil_full_ghost_bin_2d.h +++ b/src/nstencil_full_ghost_bin_2d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_ghost_bin_3d.h b/src/nstencil_full_ghost_bin_3d.h index ed4ca6c4d6..493c4f7c51 100644 --- a/src/nstencil_full_ghost_bin_3d.h +++ b/src/nstencil_full_ghost_bin_3d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_multi_2d.h b/src/nstencil_full_multi_2d.h index f78eecc55f..4bef4f6349 100644 --- a/src/nstencil_full_multi_2d.h +++ b/src/nstencil_full_multi_2d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_full_multi_3d.h b/src/nstencil_full_multi_3d.h index 9e3696f5d2..520e33389a 100644 --- a/src/nstencil_full_multi_3d.h +++ b/src/nstencil_full_multi_3d.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_2d_newtoff.h b/src/nstencil_half_bin_2d_newtoff.h index 7a350df1bc..2c05a1ecc1 100644 --- a/src/nstencil_half_bin_2d_newtoff.h +++ b/src/nstencil_half_bin_2d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_2d_newton.h b/src/nstencil_half_bin_2d_newton.h index 64bbfc5fe4..4d45321281 100644 --- a/src/nstencil_half_bin_2d_newton.h +++ b/src/nstencil_half_bin_2d_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_2d_newton_tri.h b/src/nstencil_half_bin_2d_newton_tri.h index b9926608d7..2c5b13b990 100644 --- a/src/nstencil_half_bin_2d_newton_tri.h +++ b/src/nstencil_half_bin_2d_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_3d_newtoff.h b/src/nstencil_half_bin_3d_newtoff.h index d1eac666cc..ea04199acd 100644 --- a/src/nstencil_half_bin_3d_newtoff.h +++ b/src/nstencil_half_bin_3d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_3d_newton.h b/src/nstencil_half_bin_3d_newton.h index 96f19adae1..cd854f6128 100644 --- a/src/nstencil_half_bin_3d_newton.h +++ b/src/nstencil_half_bin_3d_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_bin_3d_newton_tri.h b/src/nstencil_half_bin_3d_newton_tri.h index 8c265acb46..9a2e7a31e0 100644 --- a/src/nstencil_half_bin_3d_newton_tri.h +++ b/src/nstencil_half_bin_3d_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_ghost_bin_2d_newtoff.h b/src/nstencil_half_ghost_bin_2d_newtoff.h index 3286810c1c..37aee019ba 100644 --- a/src/nstencil_half_ghost_bin_2d_newtoff.h +++ b/src/nstencil_half_ghost_bin_2d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_ghost_bin_3d_newtoff.h b/src/nstencil_half_ghost_bin_3d_newtoff.h index ee58c29342..b22d397290 100644 --- a/src/nstencil_half_ghost_bin_3d_newtoff.h +++ b/src/nstencil_half_ghost_bin_3d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_2d_newtoff.h b/src/nstencil_half_multi_2d_newtoff.h index 5603f37beb..bba992725e 100644 --- a/src/nstencil_half_multi_2d_newtoff.h +++ b/src/nstencil_half_multi_2d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_2d_newton.h b/src/nstencil_half_multi_2d_newton.h index 9ecac4c696..4cba552cf3 100644 --- a/src/nstencil_half_multi_2d_newton.h +++ b/src/nstencil_half_multi_2d_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_2d_newton_tri.h b/src/nstencil_half_multi_2d_newton_tri.h index 62d7dfdebf..e129704ae8 100644 --- a/src/nstencil_half_multi_2d_newton_tri.h +++ b/src/nstencil_half_multi_2d_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_3d_newtoff.h b/src/nstencil_half_multi_3d_newtoff.h index 99428deb6a..64c42f4e7a 100644 --- a/src/nstencil_half_multi_3d_newtoff.h +++ b/src/nstencil_half_multi_3d_newtoff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_3d_newton.h b/src/nstencil_half_multi_3d_newton.h index bbdc7752c6..32642ca8ab 100644 --- a/src/nstencil_half_multi_3d_newton.h +++ b/src/nstencil_half_multi_3d_newton.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/nstencil_half_multi_3d_newton_tri.h b/src/nstencil_half_multi_3d_newton_tri.h index f6866489a4..fb8a957ce9 100644 --- a/src/nstencil_half_multi_3d_newton_tri.h +++ b/src/nstencil_half_multi_3d_newton_tri.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo.h b/src/ntopo.h index 3e4204cead..8a1899d810 100644 --- a/src/ntopo.h +++ b/src/ntopo.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_angle_all.h b/src/ntopo_angle_all.h index 8b28f6c34c..6962e41c0c 100644 --- a/src/ntopo_angle_all.h +++ b/src/ntopo_angle_all.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_angle_partial.h b/src/ntopo_angle_partial.h index 03ee7587ca..5b5e3a8552 100644 --- a/src/ntopo_angle_partial.h +++ b/src/ntopo_angle_partial.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_angle_template.h b/src/ntopo_angle_template.h index 19fee41e80..52ea9ff429 100644 --- a/src/ntopo_angle_template.h +++ b/src/ntopo_angle_template.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_bond_all.h b/src/ntopo_bond_all.h index 6645cba7a1..73411b6d30 100644 --- a/src/ntopo_bond_all.h +++ b/src/ntopo_bond_all.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_bond_partial.h b/src/ntopo_bond_partial.h index ec377c76bd..0b4c0c8719 100644 --- a/src/ntopo_bond_partial.h +++ b/src/ntopo_bond_partial.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_bond_template.h b/src/ntopo_bond_template.h index 8cd02e6629..4b69f927f7 100644 --- a/src/ntopo_bond_template.h +++ b/src/ntopo_bond_template.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_dihedral_all.h b/src/ntopo_dihedral_all.h index 07dcaf8c9a..67e44ddb02 100644 --- a/src/ntopo_dihedral_all.h +++ b/src/ntopo_dihedral_all.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_dihedral_partial.h b/src/ntopo_dihedral_partial.h index 70625ed256..d2e47cc526 100644 --- a/src/ntopo_dihedral_partial.h +++ b/src/ntopo_dihedral_partial.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_dihedral_template.h b/src/ntopo_dihedral_template.h index 83a77f6b58..e3ebb7fa48 100644 --- a/src/ntopo_dihedral_template.h +++ b/src/ntopo_dihedral_template.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_improper_all.h b/src/ntopo_improper_all.h index 473ada8b53..558c3a190b 100644 --- a/src/ntopo_improper_all.h +++ b/src/ntopo_improper_all.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_improper_partial.h b/src/ntopo_improper_partial.h index 797dad36e4..417f7bb410 100644 --- a/src/ntopo_improper_partial.h +++ b/src/ntopo_improper_partial.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/ntopo_improper_template.h b/src/ntopo_improper_template.h index f9539c656e..8ddf22ba3b 100644 --- a/src/ntopo_improper_template.h +++ b/src/ntopo_improper_template.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/omp_compat.h b/src/omp_compat.h index 8587548615..5cb40a7c71 100644 --- a/src/omp_compat.h +++ b/src/omp_compat.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2020) Sandia Corporation. Under the terms of Contract diff --git a/src/output.h b/src/output.h index 1af03df228..2f00ff72f0 100644 --- a/src/output.h +++ b/src/output.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pack.h b/src/pack.h index 837c33d14b..d17a8dfa7c 100644 --- a/src/pack.h +++ b/src/pack.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair.h b/src/pair.h index b25ad448eb..aa89f316f6 100644 --- a/src/pair.h +++ b/src/pair.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_beck.h b/src/pair_beck.h index 922dac7507..4cc16c3a2b 100644 --- a/src/pair_beck.h +++ b/src/pair_beck.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_born.h b/src/pair_born.h index f32659817e..7d4c5d229c 100644 --- a/src/pair_born.h +++ b/src/pair_born.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_born_coul_dsf.h b/src/pair_born_coul_dsf.h index c7cfb26094..20f2298ca7 100644 --- a/src/pair_born_coul_dsf.h +++ b/src/pair_born_coul_dsf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_born_coul_wolf.h b/src/pair_born_coul_wolf.h index d097d33a0c..30aa59ec3e 100644 --- a/src/pair_born_coul_wolf.h +++ b/src/pair_born_coul_wolf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_buck.h b/src/pair_buck.h index d74934de82..d60368054d 100644 --- a/src/pair_buck.h +++ b/src/pair_buck.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_buck_coul_cut.h b/src/pair_buck_coul_cut.h index fef8396335..64341f48ab 100644 --- a/src/pair_buck_coul_cut.h +++ b/src/pair_buck_coul_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_cut.h b/src/pair_coul_cut.h index fe44c0d8a4..732cd00f3b 100644 --- a/src/pair_coul_cut.h +++ b/src/pair_coul_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_cut_global.h b/src/pair_coul_cut_global.h index 4b3a8ddbaa..f49700352e 100644 --- a/src/pair_coul_cut_global.h +++ b/src/pair_coul_cut_global.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_debye.h b/src/pair_coul_debye.h index a83fbf3e82..36dd47b9bc 100644 --- a/src/pair_coul_debye.h +++ b/src/pair_coul_debye.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_dsf.h b/src/pair_coul_dsf.h index c74c88ee16..62cdebbc46 100644 --- a/src/pair_coul_dsf.h +++ b/src/pair_coul_dsf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_streitz.h b/src/pair_coul_streitz.h index 12da6afcfe..5da3a77e1d 100644 --- a/src/pair_coul_streitz.h +++ b/src/pair_coul_streitz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_coul_wolf.h b/src/pair_coul_wolf.h index 89391ffc77..bf98332044 100644 --- a/src/pair_coul_wolf.h +++ b/src/pair_coul_wolf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_deprecated.h b/src/pair_deprecated.h index 029ec5e6d4..8a14e7424d 100644 --- a/src/pair_deprecated.h +++ b/src/pair_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_dpd.h b/src/pair_dpd.h index 70deec33fe..755c92f91e 100644 --- a/src/pair_dpd.h +++ b/src/pair_dpd.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_dpd_tstat.h b/src/pair_dpd_tstat.h index 5232b367e3..b214304bc9 100644 --- a/src/pair_dpd_tstat.h +++ b/src/pair_dpd_tstat.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_gauss.h b/src/pair_gauss.h index 0380d1192a..b2802d46d6 100644 --- a/src/pair_gauss.h +++ b/src/pair_gauss.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index ca79163fc2..c9b6081be7 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_hybrid_overlay.h b/src/pair_hybrid_overlay.h index f1514ea079..33ec9dde34 100644 --- a/src/pair_hybrid_overlay.h +++ b/src/pair_hybrid_overlay.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_hybrid_scaled.h b/src/pair_hybrid_scaled.h index 38a031ad84..7a7293d34f 100644 --- a/src/pair_hybrid_scaled.h +++ b/src/pair_hybrid_scaled.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj96_cut.h b/src/pair_lj96_cut.h index 4d6df02127..782c71b85f 100644 --- a/src/pair_lj96_cut.h +++ b/src/pair_lj96_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cubic.h b/src/pair_lj_cubic.h index 4b5edf7e97..0ce6701b89 100644 --- a/src/pair_lj_cubic.h +++ b/src/pair_lj_cubic.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cubic_const.h b/src/pair_lj_cubic_const.h index 5fc773ac3c..3bf59d122d 100644 --- a/src/pair_lj_cubic_const.h +++ b/src/pair_lj_cubic_const.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cut.h b/src/pair_lj_cut.h index 3724685db6..d5d71ba717 100644 --- a/src/pair_lj_cut.h +++ b/src/pair_lj_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cut_coul_cut.h b/src/pair_lj_cut_coul_cut.h index dcf556cde7..7c3cef885e 100644 --- a/src/pair_lj_cut_coul_cut.h +++ b/src/pair_lj_cut_coul_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cut_coul_debye.h b/src/pair_lj_cut_coul_debye.h index 81a53a2556..04e3540c06 100644 --- a/src/pair_lj_cut_coul_debye.h +++ b/src/pair_lj_cut_coul_debye.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cut_coul_dsf.h b/src/pair_lj_cut_coul_dsf.h index 3dfe272777..c6391df692 100644 --- a/src/pair_lj_cut_coul_dsf.h +++ b/src/pair_lj_cut_coul_dsf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_cut_coul_wolf.h b/src/pair_lj_cut_coul_wolf.h index 3264390ea5..2622a0c702 100644 --- a/src/pair_lj_cut_coul_wolf.h +++ b/src/pair_lj_cut_coul_wolf.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_expand.h b/src/pair_lj_expand.h index 3a32716003..b42cfb5cef 100644 --- a/src/pair_lj_expand.h +++ b/src/pair_lj_expand.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_gromacs.h b/src/pair_lj_gromacs.h index c58de220f8..c13f5bc4cc 100644 --- a/src/pair_lj_gromacs.h +++ b/src/pair_lj_gromacs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_gromacs_coul_gromacs.h b/src/pair_lj_gromacs_coul_gromacs.h index 85b3051b25..53be705181 100644 --- a/src/pair_lj_gromacs_coul_gromacs.h +++ b/src/pair_lj_gromacs_coul_gromacs.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_relres.cpp b/src/pair_lj_relres.cpp index 2131907f3a..2f6bba80b5 100644 --- a/src/pair_lj_relres.cpp +++ b/src/pair_lj_relres.cpp @@ -1,6 +1,6 @@ /* ---------------------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_relres.h b/src/pair_lj_relres.h index 6265c519fa..7df8275dfd 100644 --- a/src/pair_lj_relres.h +++ b/src/pair_lj_relres.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_smooth.h b/src/pair_lj_smooth.h index 35d1374de0..dd06d85a85 100644 --- a/src/pair_lj_smooth.h +++ b/src/pair_lj_smooth.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_lj_smooth_linear.h b/src/pair_lj_smooth_linear.h index 7e26a7011e..74b591dbd1 100644 --- a/src/pair_lj_smooth_linear.h +++ b/src/pair_lj_smooth_linear.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_mie_cut.h b/src/pair_mie_cut.h index 9e12438d14..fd381b9beb 100644 --- a/src/pair_mie_cut.h +++ b/src/pair_mie_cut.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_morse.h b/src/pair_morse.h index 881fd6650e..c5cc2ca72a 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_soft.h b/src/pair_soft.h index daa106204c..76e7028b03 100644 --- a/src/pair_soft.h +++ b/src/pair_soft.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_table.h b/src/pair_table.h index 4075fc5789..3def325303 100644 --- a/src/pair_table.h +++ b/src/pair_table.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_ufm.h b/src/pair_ufm.h index 492c0886e1..078fe4099e 100644 --- a/src/pair_ufm.h +++ b/src/pair_ufm.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_yukawa.h b/src/pair_yukawa.h index 3222019a0a..0641c6568b 100644 --- a/src/pair_yukawa.h +++ b/src/pair_yukawa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_zbl.h b/src/pair_zbl.h index 6a16bc7419..98789e7050 100644 --- a/src/pair_zbl.h +++ b/src/pair_zbl.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_zbl_const.h b/src/pair_zbl_const.h index 385657693f..31f05a2e12 100644 --- a/src/pair_zbl_const.h +++ b/src/pair_zbl_const.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pair_zero.h b/src/pair_zero.h index 3af37aedb4..49a8f2bed0 100644 --- a/src/pair_zero.h +++ b/src/pair_zero.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/pointers.h b/src/pointers.h index 5dc1a63078..373d7a64a7 100644 --- a/src/pointers.h +++ b/src/pointers.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/potential_file_reader.h b/src/potential_file_reader.h index 4f69b8f757..ca403bb876 100644 --- a/src/potential_file_reader.h +++ b/src/potential_file_reader.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/procmap.h b/src/procmap.h index 9d83d359d3..f342b7d107 100644 --- a/src/procmap.h +++ b/src/procmap.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/random_mars.h b/src/random_mars.h index 1bcd16b051..e7862d19e4 100644 --- a/src/random_mars.h +++ b/src/random_mars.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/random_park.h b/src/random_park.h index dfa0b24312..e469491b35 100644 --- a/src/random_park.h +++ b/src/random_park.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/rcb.h b/src/rcb.h index a3dc37bb9b..0d7cf0eb4e 100644 --- a/src/rcb.h +++ b/src/rcb.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/read_data.h b/src/read_data.h index 7ccbeebd58..93f6e39feb 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/read_dump.h b/src/read_dump.h index 842b629fa4..df467db583 100644 --- a/src/read_dump.h +++ b/src/read_dump.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/read_restart.h b/src/read_restart.h index fc2a27fa67..51b154bb52 100644 --- a/src/read_restart.h +++ b/src/read_restart.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/reader.h b/src/reader.h index 7b31b666ba..a31fc99531 100644 --- a/src/reader.h +++ b/src/reader.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/reader_native.h b/src/reader_native.h index f34bd094ab..e2f5c04d7f 100644 --- a/src/reader_native.h +++ b/src/reader_native.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/reader_xyz.h b/src/reader_xyz.h index f8b0ebcea1..13cf069bd9 100644 --- a/src/reader_xyz.h +++ b/src/reader_xyz.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region.h b/src/region.h index 0dce004a5b..54112283a9 100644 --- a/src/region.h +++ b/src/region.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_block.h b/src/region_block.h index 7989ddb8af..cfb37185ac 100644 --- a/src/region_block.h +++ b/src/region_block.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_cone.h b/src/region_cone.h index 4aa9e568ac..0976749d95 100644 --- a/src/region_cone.h +++ b/src/region_cone.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_cylinder.h b/src/region_cylinder.h index 55b4bf3142..332826a855 100644 --- a/src/region_cylinder.h +++ b/src/region_cylinder.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_deprecated.h b/src/region_deprecated.h index d7e0d20330..f26a79277c 100644 --- a/src/region_deprecated.h +++ b/src/region_deprecated.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_intersect.h b/src/region_intersect.h index 2c4a2f2a0b..dde7c3e1e2 100644 --- a/src/region_intersect.h +++ b/src/region_intersect.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_plane.h b/src/region_plane.h index 96b37133dc..67095248e8 100644 --- a/src/region_plane.h +++ b/src/region_plane.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_prism.h b/src/region_prism.h index 4b518def74..f5914ba06a 100644 --- a/src/region_prism.h +++ b/src/region_prism.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_sphere.h b/src/region_sphere.h index 82bac6a619..4ca385c4ae 100644 --- a/src/region_sphere.h +++ b/src/region_sphere.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/region_union.h b/src/region_union.h index cf481c324c..a87d236afb 100644 --- a/src/region_union.h +++ b/src/region_union.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/replicate.h b/src/replicate.h index b4be578b23..36d1c5ff32 100644 --- a/src/replicate.h +++ b/src/replicate.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/rerun.h b/src/rerun.h index c10ca8780e..46039a4360 100644 --- a/src/rerun.h +++ b/src/rerun.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/reset_atom_ids.h b/src/reset_atom_ids.h index 6c262f2bd8..f22b12b17f 100644 --- a/src/reset_atom_ids.h +++ b/src/reset_atom_ids.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/reset_mol_ids.h b/src/reset_mol_ids.h index 5759cf8b4e..8259acbf40 100644 --- a/src/reset_mol_ids.h +++ b/src/reset_mol_ids.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/respa.h b/src/respa.h index f910f0c666..1076a3602c 100644 --- a/src/respa.h +++ b/src/respa.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/run.h b/src/run.h index 747af6a61c..5557432d93 100644 --- a/src/run.h +++ b/src/run.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/set.h b/src/set.h index 330bd484a3..cc096bd3b0 100644 --- a/src/set.h +++ b/src/set.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/special.h b/src/special.h index 10d2609536..b98beace90 100644 --- a/src/special.h +++ b/src/special.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/suffix.h b/src/suffix.h index 177990eb68..32b2a3ce40 100644 --- a/src/suffix.h +++ b/src/suffix.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/table_file_reader.h b/src/table_file_reader.h index 962ddf4209..b6db23e6f8 100644 --- a/src/table_file_reader.h +++ b/src/table_file_reader.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/text_file_reader.h b/src/text_file_reader.h index 0da21e4581..1b7ca73fed 100644 --- a/src/text_file_reader.h +++ b/src/text_file_reader.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/thermo.h b/src/thermo.h index 90ce41c6e4..427266952b 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/timer.h b/src/timer.h index a12d04311f..278ac1c65c 100644 --- a/src/timer.h +++ b/src/timer.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/tokenizer.h b/src/tokenizer.h index b3bbf05296..a17ab13d04 100644 --- a/src/tokenizer.h +++ b/src/tokenizer.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/universe.h b/src/universe.h index e37f07930b..aca644ea4c 100644 --- a/src/universe.h +++ b/src/universe.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/update.h b/src/update.h index f2a28619fb..86a9268536 100644 --- a/src/update.h +++ b/src/update.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/utils.h b/src/utils.h index ec4dd6ae85..c87f0b28a9 100644 --- a/src/utils.h +++ b/src/utils.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/variable.h b/src/variable.h index da759ecf6a..2c63790ea9 100644 --- a/src/variable.h +++ b/src/variable.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/velocity.h b/src/velocity.h index d7405f87fd..b86f7a8c32 100644 --- a/src/velocity.h +++ b/src/velocity.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/verlet.h b/src/verlet.h index e71932a861..91b69c2821 100644 --- a/src/verlet.h +++ b/src/verlet.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/write_coeff.h b/src/write_coeff.h index 8815162c48..ddbeb958a1 100644 --- a/src/write_coeff.h +++ b/src/write_coeff.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/write_data.h b/src/write_data.h index cecfaa4800..be13e03dc0 100644 --- a/src/write_data.h +++ b/src/write_data.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/write_dump.h b/src/write_dump.h index 763fd12f60..75a8b57fd5 100644 --- a/src/write_dump.h +++ b/src/write_dump.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract diff --git a/src/write_restart.h b/src/write_restart.h index 05f5c45ec6..c04f18d50a 100644 --- a/src/write_restart.h +++ b/src/write_restart.h @@ -1,6 +1,6 @@ /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract From 1ac3991aad39dcd85503de4c273413230c384d61 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 21:37:54 -0400 Subject: [PATCH 17/48] Lammps -> LAMMPS --- src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp | 2 +- src/USER-MANIFOLD/fix_nve_manifold_rattle.h | 2 +- src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp | 2 +- src/USER-MANIFOLD/fix_nvt_manifold_rattle.h | 2 +- src/USER-MANIFOLD/manifold_factory.cpp | 2 +- src/USER-MANIFOLD/manifold_factory.h | 2 +- 6 files changed, 6 insertions(+), 6 deletions(-) diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp index 4b141a3bd1..7c4d9cf942 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-MANIFOLD/fix_nve_manifold_rattle.h b/src/USER-MANIFOLD/fix_nve_manifold_rattle.h index 587dd94896..30886434ec 100644 --- a/src/USER-MANIFOLD/fix_nve_manifold_rattle.h +++ b/src/USER-MANIFOLD/fix_nve_manifold_rattle.h @@ -1,5 +1,5 @@ /* -*- c++ -*- ---------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp index 844f99b725..155d2b0842 100644 --- a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp +++ b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h index 1d44192be9..5ffc6af0c0 100644 --- a/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h +++ b/src/USER-MANIFOLD/fix_nvt_manifold_rattle.h @@ -1,5 +1,5 @@ /* -*- c++ -*- ---------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-MANIFOLD/manifold_factory.cpp b/src/USER-MANIFOLD/manifold_factory.cpp index 9cc2c3d24d..43e0029b29 100644 --- a/src/USER-MANIFOLD/manifold_factory.cpp +++ b/src/USER-MANIFOLD/manifold_factory.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/USER-MANIFOLD/manifold_factory.h b/src/USER-MANIFOLD/manifold_factory.h index 400929cef0..61d143feb6 100644 --- a/src/USER-MANIFOLD/manifold_factory.h +++ b/src/USER-MANIFOLD/manifold_factory.h @@ -1,5 +1,5 @@ /* -*- c++ -*- ---------------------------------------------------------- - Lammps - Large-scale Atomic/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov From 61e931ba31739dafadaf068f87a716246c69569f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 21:38:29 -0400 Subject: [PATCH 18/48] add missing LAMMPS header comment --- src/USER-ATC/fix_atc.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_cylinder.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_cylinder_dent.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_dumbbell.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_ellipsoid.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_plane.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_plane_wiggle.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_sphere.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_spine.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_supersphere.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_thylakoid.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_thylakoid_shared.h | 13 +++++++++++++ src/USER-MANIFOLD/manifold_torus.h | 13 +++++++++++++ src/lmpwindows.h | 13 +++++++++++++ 14 files changed, 182 insertions(+) diff --git a/src/USER-ATC/fix_atc.h b/src/USER-ATC/fix_atc.h index 5bf26f6eaa..c98ac4b781 100644 --- a/src/USER-ATC/fix_atc.h +++ b/src/USER-ATC/fix_atc.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifdef FIX_CLASS FixStyle(atc,FixATC) diff --git a/src/USER-MANIFOLD/manifold_cylinder.h b/src/USER-MANIFOLD/manifold_cylinder.h index 78a1725e5e..10715b2683 100644 --- a/src/USER-MANIFOLD/manifold_cylinder.h +++ b/src/USER-MANIFOLD/manifold_cylinder.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_CYLINDER_H #define LMP_MANIFOLD_CYLINDER_H diff --git a/src/USER-MANIFOLD/manifold_cylinder_dent.h b/src/USER-MANIFOLD/manifold_cylinder_dent.h index 04c23d959d..770fa23aef 100644 --- a/src/USER-MANIFOLD/manifold_cylinder_dent.h +++ b/src/USER-MANIFOLD/manifold_cylinder_dent.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_CYLINDER_DENT_H #define LMP_MANIFOLD_CYLINDER_DENT_H diff --git a/src/USER-MANIFOLD/manifold_dumbbell.h b/src/USER-MANIFOLD/manifold_dumbbell.h index cb2a1f0d0e..ef6aec6271 100644 --- a/src/USER-MANIFOLD/manifold_dumbbell.h +++ b/src/USER-MANIFOLD/manifold_dumbbell.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_DUMBBELL_H #define LMP_MANIFOLD_DUMBBELL_H diff --git a/src/USER-MANIFOLD/manifold_ellipsoid.h b/src/USER-MANIFOLD/manifold_ellipsoid.h index 373bdc8e91..f728a95ff4 100644 --- a/src/USER-MANIFOLD/manifold_ellipsoid.h +++ b/src/USER-MANIFOLD/manifold_ellipsoid.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_ELLIPSOID_H #define LMP_MANIFOLD_ELLIPSOID_H diff --git a/src/USER-MANIFOLD/manifold_plane.h b/src/USER-MANIFOLD/manifold_plane.h index 2fa7d6829e..9a45b58c94 100644 --- a/src/USER-MANIFOLD/manifold_plane.h +++ b/src/USER-MANIFOLD/manifold_plane.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_PLANE_H #define LMP_MANIFOLD_PLANE_H diff --git a/src/USER-MANIFOLD/manifold_plane_wiggle.h b/src/USER-MANIFOLD/manifold_plane_wiggle.h index c1408d8900..06b55419ae 100644 --- a/src/USER-MANIFOLD/manifold_plane_wiggle.h +++ b/src/USER-MANIFOLD/manifold_plane_wiggle.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_PLANE_WIGGLE_H #define LMP_MANIFOLD_PLANE_WIGGLE_H diff --git a/src/USER-MANIFOLD/manifold_sphere.h b/src/USER-MANIFOLD/manifold_sphere.h index a0f7f48c5f..e0a80ab88b 100644 --- a/src/USER-MANIFOLD/manifold_sphere.h +++ b/src/USER-MANIFOLD/manifold_sphere.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_SPHERE_H #define LMP_MANIFOLD_SPHERE_H diff --git a/src/USER-MANIFOLD/manifold_spine.h b/src/USER-MANIFOLD/manifold_spine.h index 09b61b8300..1b54ceaa17 100644 --- a/src/USER-MANIFOLD/manifold_spine.h +++ b/src/USER-MANIFOLD/manifold_spine.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_SPINE_H #define LMP_MANIFOLD_SPINE_H diff --git a/src/USER-MANIFOLD/manifold_supersphere.h b/src/USER-MANIFOLD/manifold_supersphere.h index 031ec71932..7b9ad2e12c 100644 --- a/src/USER-MANIFOLD/manifold_supersphere.h +++ b/src/USER-MANIFOLD/manifold_supersphere.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_SUPERSPHERE_H #define LMP_MANIFOLD_SUPERSPHERE_H diff --git a/src/USER-MANIFOLD/manifold_thylakoid.h b/src/USER-MANIFOLD/manifold_thylakoid.h index 8044d13813..cdd69d05cc 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid.h +++ b/src/USER-MANIFOLD/manifold_thylakoid.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_THYLAKOID_H #define LMP_MANIFOLD_THYLAKOID_H diff --git a/src/USER-MANIFOLD/manifold_thylakoid_shared.h b/src/USER-MANIFOLD/manifold_thylakoid_shared.h index 1af32cc206..a83603785b 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid_shared.h +++ b/src/USER-MANIFOLD/manifold_thylakoid_shared.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef MANIFOLD_THYLAKOID_SHARED_H #define MANIFOLD_THYLAKOID_SHARED_H diff --git a/src/USER-MANIFOLD/manifold_torus.h b/src/USER-MANIFOLD/manifold_torus.h index d7fbc7958b..15dd06c6bf 100644 --- a/src/USER-MANIFOLD/manifold_torus.h +++ b/src/USER-MANIFOLD/manifold_torus.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #ifndef LMP_MANIFOLD_TORUS_H #define LMP_MANIFOLD_TORUS_H diff --git a/src/lmpwindows.h b/src/lmpwindows.h index 5083f0cbb3..59210f35c3 100644 --- a/src/lmpwindows.h +++ b/src/lmpwindows.h @@ -1,3 +1,16 @@ +/* -*- c++ -*- ---------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. +------------------------------------------------------------------------- */ + #include #if !defined(__MINGW32__) #include "erf.h" From ac9f1fba864ad748a498ceb603c9abc5a372c582 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 21:40:10 -0400 Subject: [PATCH 19/48] small fixes --- src/USER-ATC/fix_atc.h | 2 +- src/USER-PLUMED/fix_plumed.cpp | 2 +- src/file_writer.h | 1 - 3 files changed, 2 insertions(+), 3 deletions(-) diff --git a/src/USER-ATC/fix_atc.h b/src/USER-ATC/fix_atc.h index c98ac4b781..e810e6bf91 100644 --- a/src/USER-ATC/fix_atc.h +++ b/src/USER-ATC/fix_atc.h @@ -30,7 +30,7 @@ namespace LAMMPS_NS { /** * @class FixATC - * @brief Class for an atom-to-continuum (ATC) Lammps fix. + * @brief Class for an atom-to-continuum (ATC) LAMMPS fix. */ class FixATC : public Fix { diff --git a/src/USER-PLUMED/fix_plumed.cpp b/src/USER-PLUMED/fix_plumed.cpp index 8d3cdd5c34..293f4b0556 100644 --- a/src/USER-PLUMED/fix_plumed.cpp +++ b/src/USER-PLUMED/fix_plumed.cpp @@ -419,7 +419,7 @@ void FixPlumed::post_force(int /* vflag */) p->cmd("getBias",&bias); // Pass virial to plumed - // If energy is needed plmd_virial is equal to Lammps' virial + // If energy is needed plmd_virial is equal to LAMMPS' virial // If energy is not needed plmd_virial is initialized to zero // In the first case the virial will be rescaled and an extra term will be added // In the latter case only an extra term will be added diff --git a/src/file_writer.h b/src/file_writer.h index 0a18bbd1f7..f9b4abcb59 100644 --- a/src/file_writer.h +++ b/src/file_writer.h @@ -1,4 +1,3 @@ - /* -*- c++ -*- ---------------------------------------------------------- LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories From 78d1c33bbedfb07af12d3c5ce909f1c61506fce6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 21:42:34 -0400 Subject: [PATCH 20/48] a few more http://lammps.sandia.gov to https://lammps.sandia.gov updates --- src/MISC/fix_orient_bcc.h | 2 +- src/MISC/fix_orient_fcc.h | 2 +- src/USER-NETCDF/README | 2 +- src/USER-PTM/README | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/MISC/fix_orient_bcc.h b/src/MISC/fix_orient_bcc.h index ea6ee7a7a7..7059e4bbfd 100644 --- a/src/MISC/fix_orient_bcc.h +++ b/src/MISC/fix_orient_bcc.h @@ -110,6 +110,6 @@ E: Fix orient/bcc found self twice The neighbor lists used by fix orient/bcc are messed up. If this error occurs, it is likely a bug, so send an email to the -"developers"_http://lammps.sandia.gov/authors.html. +"developers"_https://lammps.sandia.gov/authors.html. */ diff --git a/src/MISC/fix_orient_fcc.h b/src/MISC/fix_orient_fcc.h index 4819cd09c0..a6ec2d1884 100644 --- a/src/MISC/fix_orient_fcc.h +++ b/src/MISC/fix_orient_fcc.h @@ -110,6 +110,6 @@ E: Fix orient/fcc found self twice The neighbor lists used by fix orient/fcc are messed up. If this error occurs, it is likely a bug, so send an email to the -"developers"_http://lammps.sandia.gov/authors.html. +"developers"_https://lammps.sandia.gov/authors.html. */ diff --git a/src/USER-NETCDF/README b/src/USER-NETCDF/README index 7d7874e5ac..fc2af83529 100644 --- a/src/USER-NETCDF/README +++ b/src/USER-NETCDF/README @@ -9,7 +9,7 @@ on your system. See lib/netcdf/README for additional details. PACKAGE DESCRIPTION ------------------- -This is a LAMMPS (http://lammps.sandia.gov/) dump style for output into a NetCDF +This is a LAMMPS (https://lammps.sandia.gov/) dump style for output into a NetCDF database. The database format follows the AMBER NetCDF trajectory convention (http://ambermd.org/netcdf/nctraj.xhtml), but includes extensions to this convention. These extension are: diff --git a/src/USER-PTM/README b/src/USER-PTM/README index d661fa5ac5..f6165a7881 100644 --- a/src/USER-PTM/README +++ b/src/USER-PTM/README @@ -6,7 +6,7 @@ The method is currently (Fall 2018) included in OVITO, LAMMPS, and ASAP. OVITO PTM documentation: http://www.ovito.org/manual/particles.modifiers.polyhedral_template_matching.html -LAMMPS PTM documentation: http://lammps.sandia.gov/doc/compute_ptm_atom.html +LAMMPS PTM documentation: https://lammps.sandia.gov/doc/compute_ptm_atom.html ASAP PTM documentation: http://wiki.fysik.dtu.dk/asap/Local%20crystalline%20order From ec7d3410f302a7ca9bf713b43310038887db1a76 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Thu, 22 Apr 2021 22:26:27 -0400 Subject: [PATCH 21/48] add or correct some more LAMMPS header comments --- src/KOKKOS/atom_vec_atomic_kokkos.cpp | 2 +- src/KOKKOS/atom_vec_dpd_kokkos.cpp | 2 +- src/STUBS/mpi.cpp | 8 ++++---- src/USER-MANIFOLD/manifold_cylinder.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_cylinder_dent.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_dumbbell.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_ellipsoid.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_gaussian_bump.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_plane.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_plane_wiggle.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_spine.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_thylakoid.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_thylakoid_shared.cpp | 13 +++++++++++++ src/USER-MANIFOLD/manifold_torus.cpp | 13 +++++++++++++ src/USER-MISC/compute_momentum.cpp | 13 +++++++++++++ src/USER-PHONON/dynamical_matrix.cpp | 13 +++++++++++++ src/USER-PHONON/third_order.cpp | 13 +++++++++++++ src/ntopo_improper_template.cpp | 2 +- 18 files changed, 189 insertions(+), 7 deletions(-) diff --git a/src/KOKKOS/atom_vec_atomic_kokkos.cpp b/src/KOKKOS/atom_vec_atomic_kokkos.cpp index 71452e3634..d370aa1926 100644 --- a/src/KOKKOS/atom_vec_atomic_kokkos.cpp +++ b/src/KOKKOS/atom_vec_atomic_kokkos.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - LAMMPS - Large-scale AtomicKokkos/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/KOKKOS/atom_vec_dpd_kokkos.cpp b/src/KOKKOS/atom_vec_dpd_kokkos.cpp index 923f734d6e..504712ff0d 100644 --- a/src/KOKKOS/atom_vec_dpd_kokkos.cpp +++ b/src/KOKKOS/atom_vec_dpd_kokkos.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - LAMMPS - Large-scale AtomicKokkos/Molecular Massively Parallel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov diff --git a/src/STUBS/mpi.cpp b/src/STUBS/mpi.cpp index 38fbbac3af..0e87492118 100644 --- a/src/STUBS/mpi.cpp +++ b/src/STUBS/mpi.cpp @@ -1,6 +1,6 @@ -/* ----------------------------------------------------------------------- - LAMMPS 2003 (July 31) - Molecular Dynamics Simulator - Sandia National Laboratories, www.cs.sandia.gov/~sjplimp/lammps.html +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov Copyright (2003) Sandia Corporation. Under the terms of Contract @@ -9,7 +9,7 @@ the GNU General Public License. See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +------------------------------------------------------------------------- */ /* Single-processor "stub" versions of MPI routines */ diff --git a/src/USER-MANIFOLD/manifold_cylinder.cpp b/src/USER-MANIFOLD/manifold_cylinder.cpp index 28062d7a27..317934a34e 100644 --- a/src/USER-MANIFOLD/manifold_cylinder.cpp +++ b/src/USER-MANIFOLD/manifold_cylinder.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_cylinder.h" using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_cylinder_dent.cpp b/src/USER-MANIFOLD/manifold_cylinder_dent.cpp index 6fe8e3453c..9289fc93a5 100644 --- a/src/USER-MANIFOLD/manifold_cylinder_dent.cpp +++ b/src/USER-MANIFOLD/manifold_cylinder_dent.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_cylinder_dent.h" #include "math_const.h" diff --git a/src/USER-MANIFOLD/manifold_dumbbell.cpp b/src/USER-MANIFOLD/manifold_dumbbell.cpp index c40a5fff9f..af5fdc9edb 100644 --- a/src/USER-MANIFOLD/manifold_dumbbell.cpp +++ b/src/USER-MANIFOLD/manifold_dumbbell.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_dumbbell.h" #include diff --git a/src/USER-MANIFOLD/manifold_ellipsoid.cpp b/src/USER-MANIFOLD/manifold_ellipsoid.cpp index d5e7bb146e..ea62b335ef 100644 --- a/src/USER-MANIFOLD/manifold_ellipsoid.cpp +++ b/src/USER-MANIFOLD/manifold_ellipsoid.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_ellipsoid.h" using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_gaussian_bump.cpp b/src/USER-MANIFOLD/manifold_gaussian_bump.cpp index 79d0185d1b..4893e86da2 100644 --- a/src/USER-MANIFOLD/manifold_gaussian_bump.cpp +++ b/src/USER-MANIFOLD/manifold_gaussian_bump.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_gaussian_bump.h" #include "comm.h" diff --git a/src/USER-MANIFOLD/manifold_plane.cpp b/src/USER-MANIFOLD/manifold_plane.cpp index 6c3f17393a..b533c27197 100644 --- a/src/USER-MANIFOLD/manifold_plane.cpp +++ b/src/USER-MANIFOLD/manifold_plane.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_plane.h" using namespace LAMMPS_NS; diff --git a/src/USER-MANIFOLD/manifold_plane_wiggle.cpp b/src/USER-MANIFOLD/manifold_plane_wiggle.cpp index 983702b6f3..f5e57d5f6f 100644 --- a/src/USER-MANIFOLD/manifold_plane_wiggle.cpp +++ b/src/USER-MANIFOLD/manifold_plane_wiggle.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_plane_wiggle.h" #include diff --git a/src/USER-MANIFOLD/manifold_spine.cpp b/src/USER-MANIFOLD/manifold_spine.cpp index 9641f53885..96e0418188 100644 --- a/src/USER-MANIFOLD/manifold_spine.cpp +++ b/src/USER-MANIFOLD/manifold_spine.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_spine.h" #include diff --git a/src/USER-MANIFOLD/manifold_thylakoid.cpp b/src/USER-MANIFOLD/manifold_thylakoid.cpp index b7eab17fe1..c8c9fe2721 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid.cpp +++ b/src/USER-MANIFOLD/manifold_thylakoid.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_thylakoid.h" #include #include "manifold_thylakoid_shared.h" diff --git a/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp b/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp index 29e0ee82e9..fc49e3715e 100644 --- a/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp +++ b/src/USER-MANIFOLD/manifold_thylakoid_shared.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "manifold_thylakoid_shared.h" #include diff --git a/src/USER-MANIFOLD/manifold_torus.cpp b/src/USER-MANIFOLD/manifold_torus.cpp index 4806af5213..1e25a3ffe2 100644 --- a/src/USER-MANIFOLD/manifold_torus.cpp +++ b/src/USER-MANIFOLD/manifold_torus.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include #include "manifold_torus.h" #include "error.h" diff --git a/src/USER-MISC/compute_momentum.cpp b/src/USER-MISC/compute_momentum.cpp index 3015cbe30e..c85457ad63 100644 --- a/src/USER-MISC/compute_momentum.cpp +++ b/src/USER-MISC/compute_momentum.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + #include "compute_momentum.h" diff --git a/src/USER-PHONON/dynamical_matrix.cpp b/src/USER-PHONON/dynamical_matrix.cpp index 0476c734a5..aabf4adfab 100644 --- a/src/USER-PHONON/dynamical_matrix.cpp +++ b/src/USER-PHONON/dynamical_matrix.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + // // Created by charlie sievers on 6/21/18. // diff --git a/src/USER-PHONON/third_order.cpp b/src/USER-PHONON/third_order.cpp index ebcc682d7a..1cf52d83bb 100644 --- a/src/USER-PHONON/third_order.cpp +++ b/src/USER-PHONON/third_order.cpp @@ -1,3 +1,16 @@ +/* ---------------------------------------------------------------------- + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator + https://lammps.sandia.gov/, Sandia National Laboratories + Steve Plimpton, sjplimp@sandia.gov + + Copyright (2003) Sandia Corporation. Under the terms of Contract + DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains + certain rights in this software. This software is distributed under + the GNU General Public License. + + See the README file in the top-level LAMMPS directory. + ----------------------------------------------------------------------- */ + // // Created by charlie sievers on 7/5/18. // diff --git a/src/ntopo_improper_template.cpp b/src/ntopo_improper_template.cpp index 43d8d2be38..5f586148cf 100644 --- a/src/ntopo_improper_template.cpp +++ b/src/ntopo_improper_template.cpp @@ -1,5 +1,5 @@ /* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Templatel Simulator + LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator https://lammps.sandia.gov/, Sandia National Laboratories Steve Plimpton, sjplimp@sandia.gov From 7bae94cb49bdc0e4ff6ac8fbeb8d16505ed620e6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 04:39:21 -0400 Subject: [PATCH 22/48] fix cut-n-paste bug detected by coverity scan --- src/SPIN/fix_nve_spin.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp index c394b943b7..855b82c30e 100644 --- a/src/SPIN/fix_nve_spin.cpp +++ b/src/SPIN/fix_nve_spin.cpp @@ -266,7 +266,7 @@ void FixNVESpin::init() // init length of vector of ptrs to precession/spin styles if (nlangspin > 0) { - locklangevinspin = new FixLangevinSpin*[nprecspin]; + locklangevinspin = new FixLangevinSpin*[nlangspin]; } // loop 2: fill vector with ptrs to precession/spin styles From 92cc30e7ba42fd26bc0795626fa5dbf401ed0e0d Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 05:13:36 -0400 Subject: [PATCH 23/48] correctly determine the number of active pair style instances --- src/SPIN/compute_spin.cpp | 17 ++++++++++------- src/SPIN/fix_nve_spin.cpp | 17 ++++++++++------- src/pair_hybrid.h | 4 +++- 3 files changed, 23 insertions(+), 15 deletions(-) diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index 9108cd7dfa..26b02aa7c3 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -82,15 +82,18 @@ void ComputeSpin::init() // loop 1: obtain # of Pairs, and # of Pair/Spin styles - if (force->pair_match("spin",0,0)) { // only one Pair/Spin style - pair = force->pair_match("spin",0,0); - npairs = pair->instance_total; + PairHybrid *hybrid = (PairHybrid *)force->pair_match("^hybrid",0); + if (force->pair_match("^spin",0,0)) { // only one Pair/Spin style + pair = force->pair_match("^spin",0,0); + if (hybrid == nullptr) npairs = 1; + else npairs = hybrid->nstyles; npairspin = 1; - } else if (force->pair_match("spin",0,1)) { // more than one Pair/Spin style - pair = force->pair_match("spin",0,1); - npairs = pair->instance_total; + } else if (force->pair_match("^spin",0,1)) { // more than one Pair/Spin style + pair = force->pair_match("^spin",0,1); + if (hybrid == nullptr) npairs = 1; + else npairs = hybrid->nstyles; for (int i = 0; ipair_match("spin",0,i)) { + if (force->pair_match("^spin",0,i)) { npairspin ++; } } diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp index 855b82c30e..0c6a19b4ca 100644 --- a/src/SPIN/fix_nve_spin.cpp +++ b/src/SPIN/fix_nve_spin.cpp @@ -172,15 +172,18 @@ void FixNVESpin::init() // loop 1: obtain # of Pairs, and # of Pair/Spin styles - if (force->pair_match("spin",0,0)) { // only one Pair/Spin style - pair = force->pair_match("spin",0,0); - npairs = pair->instance_total; + PairHybrid *hybrid = (PairHybrid *)force->pair_match("^hybrid",0); + if (force->pair_match("^spin",0,0)) { // only one Pair/Spin style + pair = force->pair_match("^spin",0,0); + if (hybrid == nullptr) npairs = 1; + else npairs = hybrid->nstyles; npairspin = 1; - } else if (force->pair_match("spin",0,1)) { // more than one Pair/Spin style - pair = force->pair_match("spin",0,1); - npairs = pair->instance_total; + } else if (force->pair_match("^spin",0,1)) { // more than one Pair/Spin style + pair = force->pair_match("^spin",0,1); + if (hybrid == nullptr) npairs = 1; + else npairs = hybrid->nstyles; for (int i = 0; ipair_match("spin",0,i)) { + if (force->pair_match("^spin",0,i)) { npairspin ++; } } diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index ca79163fc2..1279bc04fa 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -25,13 +25,15 @@ PairStyle(hybrid,PairHybrid) namespace LAMMPS_NS { class PairHybrid : public Pair { + friend class ComputeSpin; friend class FixGPU; friend class FixIntel; friend class FixOMP; + friend class FixNVESpin; friend class Force; + friend class Info; friend class Neighbor; friend class Respa; - friend class Info; friend class PairDeprecated; public: PairHybrid(class LAMMPS *); From cbf81a5f9f7a40e6bcb44f0c35f18ad8823afc8f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 05:15:28 -0400 Subject: [PATCH 24/48] make detection of styles more specific and still support suffixed versions --- src/SPIN/compute_spin.cpp | 18 ++++++++++-------- src/SPIN/fix_nve_spin.cpp | 33 ++++++++++++++++++--------------- 2 files changed, 28 insertions(+), 23 deletions(-) diff --git a/src/SPIN/compute_spin.cpp b/src/SPIN/compute_spin.cpp index 26b02aa7c3..c43e7784b4 100644 --- a/src/SPIN/compute_spin.cpp +++ b/src/SPIN/compute_spin.cpp @@ -23,8 +23,6 @@ #include "compute_spin.h" -#include -#include #include "atom.h" #include "error.h" #include "fix_precession_spin.h" @@ -32,9 +30,13 @@ #include "math_const.h" #include "memory.h" #include "modify.h" +#include "pair_hybrid.h" #include "pair_spin.h" #include "update.h" +#include +#include + using namespace LAMMPS_NS; using namespace MathConst; @@ -110,25 +112,25 @@ void ComputeSpin::init() int count = 0; if (npairspin == 1) { count = 1; - spin_pairs[0] = (PairSpin *) force->pair_match("spin",0,0); + spin_pairs[0] = (PairSpin *) force->pair_match("^spin",0,0); } else if (npairspin > 1) { for (int i = 0; ipair_match("spin",0,i)) { - spin_pairs[count] = (PairSpin *) force->pair_match("spin",0,i); + if (force->pair_match("^spin",0,i)) { + spin_pairs[count] = (PairSpin *) force->pair_match("^spin",0,i); count++; } } } if (count != npairspin) - error->all(FLERR,"Incorrect number of spin pairs"); + error->all(FLERR,"Incorrect number of spin pair styles"); // set pair/spin and long/spin flags if (npairspin >= 1) pair_spin_flag = 1; for (int i = 0; ipair_match("spin/long",0,i)) { + if (force->pair_match("^spin/long",0,i)) { long_spin_flag = 1; } } @@ -137,7 +139,7 @@ void ComputeSpin::init() int iforce; for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"precession/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^precession/spin")) { precession_spin_flag = 1; lockprecessionspin = (FixPrecessionSpin *) modify->fix[iforce]; } diff --git a/src/SPIN/fix_nve_spin.cpp b/src/SPIN/fix_nve_spin.cpp index 0c6a19b4ca..b340a08c65 100644 --- a/src/SPIN/fix_nve_spin.cpp +++ b/src/SPIN/fix_nve_spin.cpp @@ -22,21 +22,24 @@ ------------------------------------------------------------------------- */ #include "fix_nve_spin.h" -#include + #include "atom.h" #include "citeme.h" #include "comm.h" #include "domain.h" #include "error.h" -#include "fix_precession_spin.h" #include "fix_langevin_spin.h" +#include "fix_precession_spin.h" #include "fix_setforce_spin.h" #include "force.h" #include "memory.h" #include "modify.h" +#include "pair_hybrid.h" #include "pair_spin.h" #include "update.h" +#include + using namespace LAMMPS_NS; using namespace FixConst; @@ -200,18 +203,18 @@ void FixNVESpin::init() int count1 = 0; if (npairspin == 1) { count1 = 1; - spin_pairs[0] = (PairSpin *) force->pair_match("spin",0,0); + spin_pairs[0] = (PairSpin *) force->pair_match("^spin",0,0); } else if (npairspin > 1) { for (int i = 0; ipair_match("spin",0,i)) { - spin_pairs[count1] = (PairSpin *) force->pair_match("spin",0,i); + if (force->pair_match("^spin",0,i)) { + spin_pairs[count1] = (PairSpin *) force->pair_match("^spin",0,i); count1++; } } } if (count1 != npairspin) - error->all(FLERR,"Incorrect number of spin pairs"); + error->all(FLERR,"Incorrect number of spin pair styles"); // set pair/spin and long/spin flags @@ -229,7 +232,7 @@ void FixNVESpin::init() int iforce; for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"precession/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^precession/spin")) { nprecspin++; } } @@ -245,7 +248,7 @@ void FixNVESpin::init() int count2 = 0; if (nprecspin > 0) { for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"precession/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^precession/spin")) { precession_spin_flag = 1; lockprecessionspin[count2] = (FixPrecessionSpin *) modify->fix[iforce]; count2++; @@ -254,30 +257,30 @@ void FixNVESpin::init() } if (count2 != nprecspin) - error->all(FLERR,"Incorrect number of fix precession/spin"); + error->all(FLERR,"Incorrect number of precession/spin fixes"); // set ptrs for fix langevin/spin styles // loop 1: obtain # of fix langevin/spin styles for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"langevin/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^langevin/spin")) { nlangspin++; } } - // init length of vector of ptrs to precession/spin styles + // init length of vector of ptrs to langevin/spin styles if (nlangspin > 0) { locklangevinspin = new FixLangevinSpin*[nlangspin]; } - // loop 2: fill vector with ptrs to precession/spin styles + // loop 2: fill vector with ptrs to langevin/spin styles count2 = 0; if (nlangspin > 0) { for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"langevin/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^langevin/spin")) { maglangevin_flag = 1; locklangevinspin[count2] = (FixLangevinSpin *) modify->fix[iforce]; count2++; @@ -286,12 +289,12 @@ void FixNVESpin::init() } if (count2 != nlangspin) - error->all(FLERR,"Incorrect number of fix precession/spin"); + error->all(FLERR,"Incorrect number of langevin/spin fixes"); // ptrs FixSetForceSpin classes for (iforce = 0; iforce < modify->nfix; iforce++) { - if (strstr(modify->fix[iforce]->style,"setforce/spin")) { + if (utils::strmatch(modify->fix[iforce]->style,"^setforce/spin")) { setforce_spin_flag = 1; locksetforcespin = (FixSetForceSpin *) modify->fix[iforce]; } From a438c2bc7bf4d295b37861afc72c510bb49850a0 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 05:43:03 -0400 Subject: [PATCH 25/48] tweak unit test YAML epsilon values for GPU mixed precision tests to pass --- unittest/force-styles/tests/atomic-pair-beck.yaml | 2 +- unittest/force-styles/tests/atomic-pair-table_bitmap.yaml | 2 +- unittest/force-styles/tests/atomic-pair-table_linear.yaml | 2 +- unittest/force-styles/tests/atomic-pair-table_spline.yaml | 2 +- unittest/force-styles/tests/manybody-pair-tersoff.yaml | 2 +- .../force-styles/tests/manybody-pair-tersoff_mod_c_shift.yaml | 2 +- unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml | 2 +- unittest/force-styles/tests/mol-pair-lj_cut_coul_cut.yaml | 2 +- unittest/force-styles/tests/mol-pair-lj_expand.yaml | 2 +- 9 files changed, 9 insertions(+), 9 deletions(-) diff --git a/unittest/force-styles/tests/atomic-pair-beck.yaml b/unittest/force-styles/tests/atomic-pair-beck.yaml index 3faebc561b..5416d2eb4f 100644 --- a/unittest/force-styles/tests/atomic-pair-beck.yaml +++ b/unittest/force-styles/tests/atomic-pair-beck.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:08:59 2021 -epsilon: 5e-13 +epsilon: 2e-12 prerequisites: ! | pair beck pre_commands: ! "" diff --git a/unittest/force-styles/tests/atomic-pair-table_bitmap.yaml b/unittest/force-styles/tests/atomic-pair-table_bitmap.yaml index c67ff58bf8..e9df0744c6 100644 --- a/unittest/force-styles/tests/atomic-pair-table_bitmap.yaml +++ b/unittest/force-styles/tests/atomic-pair-table_bitmap.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:09 2021 -epsilon: 5e-13 +epsilon: 2e-12 prerequisites: ! | pair table pre_commands: ! "" diff --git a/unittest/force-styles/tests/atomic-pair-table_linear.yaml b/unittest/force-styles/tests/atomic-pair-table_linear.yaml index bb7f3959e0..2a0e88e8ca 100644 --- a/unittest/force-styles/tests/atomic-pair-table_linear.yaml +++ b/unittest/force-styles/tests/atomic-pair-table_linear.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:10 2021 -epsilon: 5e-13 +epsilon: 2e-12 prerequisites: ! | pair table pre_commands: ! "" diff --git a/unittest/force-styles/tests/atomic-pair-table_spline.yaml b/unittest/force-styles/tests/atomic-pair-table_spline.yaml index 276dae27c2..9fce2192a5 100644 --- a/unittest/force-styles/tests/atomic-pair-table_spline.yaml +++ b/unittest/force-styles/tests/atomic-pair-table_spline.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:10 2021 -epsilon: 5e-13 +epsilon: 2e-12 prerequisites: ! | pair table pre_commands: ! "" diff --git a/unittest/force-styles/tests/manybody-pair-tersoff.yaml b/unittest/force-styles/tests/manybody-pair-tersoff.yaml index 366810b84e..8ebf41524e 100644 --- a/unittest/force-styles/tests/manybody-pair-tersoff.yaml +++ b/unittest/force-styles/tests/manybody-pair-tersoff.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:20 2021 -epsilon: 5e-13 +epsilon: 1e-11 prerequisites: ! | pair tersoff pre_commands: ! | diff --git a/unittest/force-styles/tests/manybody-pair-tersoff_mod_c_shift.yaml b/unittest/force-styles/tests/manybody-pair-tersoff_mod_c_shift.yaml index a630f67ef8..2580778581 100644 --- a/unittest/force-styles/tests/manybody-pair-tersoff_mod_c_shift.yaml +++ b/unittest/force-styles/tests/manybody-pair-tersoff_mod_c_shift.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:09:20 2021 -epsilon: 1e-12 +epsilon: 2e-11 skip_tests: intel prerequisites: ! | pair tersoff/mod/c diff --git a/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml b/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml index 4aeae6cd1b..c590c10dc7 100644 --- a/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml +++ b/unittest/force-styles/tests/mol-pair-hybrid-overlay.yaml @@ -1,7 +1,7 @@ --- lammps_version: 8 Apr 2021 date_generated: Mon Apr 19 08:49:07 2021 -epsilon: 7.5e-14 +epsilon: 1.5e-13 prerequisites: ! | atom full pair lj/cut diff --git a/unittest/force-styles/tests/mol-pair-lj_cut_coul_cut.yaml b/unittest/force-styles/tests/mol-pair-lj_cut_coul_cut.yaml index 23ee5a4b93..c08d9cf059 100644 --- a/unittest/force-styles/tests/mol-pair-lj_cut_coul_cut.yaml +++ b/unittest/force-styles/tests/mol-pair-lj_cut_coul_cut.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:08:48 2021 -epsilon: 1e-13 +epsilon: 2e-13 prerequisites: ! | atom full pair lj/cut/coul/cut diff --git a/unittest/force-styles/tests/mol-pair-lj_expand.yaml b/unittest/force-styles/tests/mol-pair-lj_expand.yaml index 7f7a73df55..fd0d04a6e2 100644 --- a/unittest/force-styles/tests/mol-pair-lj_expand.yaml +++ b/unittest/force-styles/tests/mol-pair-lj_expand.yaml @@ -1,7 +1,7 @@ --- lammps_version: 10 Feb 2021 date_generated: Fri Feb 26 23:08:50 2021 -epsilon: 1e-13 +epsilon: 5e-13 prerequisites: ! | atom full pair lj/expand From 8ea5b8c41b76cfd9ad624132621eb21414cca9d5 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 11:22:50 -0400 Subject: [PATCH 26/48] add false positives for recently added docs --- doc/utils/sphinx-config/false_positives.txt | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index da0617ce91..da69cc4edc 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -101,6 +101,7 @@ anisotropic anisotropies anisotropy ansi +antiferromagnetic antiquewhite Antisymmetrized antisymmetry @@ -2177,6 +2178,7 @@ nimpropers nimpropertypes Nimpropertype Ninteger +NiO Nissila nist nitride @@ -3163,6 +3165,7 @@ th thb thei Theodorou +Theophile Theor thermalization thermalize @@ -3315,6 +3318,7 @@ Uleft uloop Ulomek ulsph +Ultrafast uMech umin Umin @@ -3595,6 +3599,7 @@ ZBL Zc zcm Zeeman +zeeman Zemer Zepeda zflag From 5a12baeef9fe22679f89c0ef8146ff6895da7f84 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 15:14:01 -0400 Subject: [PATCH 27/48] remove dead code and silence compiler warnings --- src/SPIN/fix_langevin_spin.cpp | 8 ++------ src/SPIN/fix_langevin_spin.h | 2 +- src/SPIN/fix_nve_spin.h | 12 ++++++------ src/SPIN/fix_precession_spin.cpp | 5 ++--- src/SPIN/pair_spin_exchange_biquadratic.cpp | 7 ++----- 5 files changed, 13 insertions(+), 21 deletions(-) diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index 949833caa7..5c040da0f5 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -142,15 +142,11 @@ void FixLangevinSpin::add_tdamping(double spi[3], double fmi[3]) /* ---------------------------------------------------------------------- */ -void FixLangevinSpin::add_temperature(int i, double spi[3], double fmi[3]) +void FixLangevinSpin::add_temperature(double fmi[3]) { - // double rx = sigma*(2.0*random->uniform() - 1.0); - // double ry = sigma*(2.0*random->uniform() - 1.0); - // double rz = sigma*(2.0*random->uniform() - 1.0); double rx = sigma*random->gaussian(); double ry = sigma*random->gaussian(); double rz = sigma*random->gaussian(); - double hbar = force->hplanck/MY_2PI; // adding the random field @@ -172,6 +168,6 @@ void FixLangevinSpin::compute_single_langevin(int i, double spi[3], double fmi[3 int *mask = atom->mask; if (mask[i] & groupbit) { if (tdamp_flag) add_tdamping(spi,fmi); - if (temp_flag) add_temperature(i,spi,fmi); + if (temp_flag) add_temperature(fmi); } } diff --git a/src/SPIN/fix_langevin_spin.h b/src/SPIN/fix_langevin_spin.h index baa1cb1c84..b408e6ce2e 100644 --- a/src/SPIN/fix_langevin_spin.h +++ b/src/SPIN/fix_langevin_spin.h @@ -34,7 +34,7 @@ class FixLangevinSpin : public Fix { void init(); void setup(int); void add_tdamping(double *, double *); // add transverse damping - void add_temperature(int, double *, double *); + void add_temperature(double[3]); void compute_single_langevin(int, double *, double *); protected: diff --git a/src/SPIN/fix_nve_spin.h b/src/SPIN/fix_nve_spin.h index 73716bac26..ec5917c7cf 100644 --- a/src/SPIN/fix_nve_spin.h +++ b/src/SPIN/fix_nve_spin.h @@ -61,6 +61,12 @@ friend class PairSpin; int tdamp_flag, temp_flag; int setforce_spin_flag; + // pointers to magnetic pair styles + + int npairs, npairspin; // # of pairs, and # of spin pairs + class Pair *pair; + class PairSpin **spin_pairs; // vector of spin pairs + // pointers to fix langevin/spin styles int nlangspin; @@ -76,12 +82,6 @@ friend class PairSpin; int nprecspin; class FixPrecessionSpin **lockprecessionspin; - // pointers to magnetic pair styles - - int npairs, npairspin; // # of pairs, and # of spin pairs - class Pair *pair; - class PairSpin **spin_pairs; // vector of spin pairs - // sectoring variables int nsectors; diff --git a/src/SPIN/fix_precession_spin.cpp b/src/SPIN/fix_precession_spin.cpp index c3f8a4d7df..e2ddccdd89 100644 --- a/src/SPIN/fix_precession_spin.cpp +++ b/src/SPIN/fix_precession_spin.cpp @@ -440,7 +440,7 @@ void FixPrecessionSpin::compute_stt(double spi[3], double fmi[3]) /* ---------------------------------------------------------------------- */ -double FixPrecessionSpin::compute_stt_energy(double spi[3]) +double FixPrecessionSpin::compute_stt_energy(double * /* spi */) { double energy = 0.0; // Non-conservative force return energy; @@ -530,14 +530,13 @@ double FixPrecessionSpin::compute_cubic_energy(double spi[3]) void FixPrecessionSpin::compute_hexaniso(double spi[3], double fmi[3]) { - double s_x,s_y,s_z; + double s_x,s_y; double pf, phi, ssint2; // changing to the axes' frame s_x = l6x*spi[0]+l6y*spi[1]+l6z*spi[2]; s_y = m6x*spi[0]+m6y*spi[1]+m6z*spi[2]; - s_z = n6x*spi[0]+n6y*spi[1]+n6z*spi[2]; // hexagonal anisotropy in the axes' frame diff --git a/src/SPIN/pair_spin_exchange_biquadratic.cpp b/src/SPIN/pair_spin_exchange_biquadratic.cpp index a00d1cc8b0..3c5a95e3dd 100644 --- a/src/SPIN/pair_spin_exchange_biquadratic.cpp +++ b/src/SPIN/pair_spin_exchange_biquadratic.cpp @@ -473,16 +473,13 @@ double PairSpinExchangeBiquadratic::compute_energy(int i, int j, double rsq, { int *type = atom->type; int itype,jtype; - double Jex,Kex,ra,sdots; - double rj,rk,r2j,r2k; + double Jex,Kex,sdots; + double r2j,r2k; double energy = 0.0; itype = type[i]; jtype = type[j]; - ra = sqrt(rsq); - rj = ra/J3[itype][jtype]; r2j = rsq/J3[itype][jtype]/J3[itype][jtype]; - rk = ra/K3[itype][jtype]; r2k = rsq/K3[itype][jtype]/K3[itype][jtype]; Jex = 4.0*J1_mech[itype][jtype]*r2j; From 8541b0da3e16f396112439500492476ea9351d38 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 15:35:45 -0400 Subject: [PATCH 28/48] reduce compiler warnings by avoiding to redeclare variables so they shadow others --- src/angle_hybrid.cpp | 8 ++++---- src/atom_vec_hybrid.cpp | 14 +++++++------- src/balance.cpp | 4 ++-- src/bond_hybrid.cpp | 6 +++--- src/change_box.cpp | 6 +++--- src/compute_angmom_chunk.cpp | 6 +++--- src/compute_centro_atom.cpp | 2 +- src/compute_chunk_atom.cpp | 9 +++------ src/compute_dipole_chunk.cpp | 6 +++--- src/compute_global_atom.cpp | 10 +++++----- src/compute_reduce_region.cpp | 21 +++++++-------------- src/compute_temp_sphere.cpp | 7 ++----- src/create_bonds.cpp | 2 +- src/dihedral_hybrid.cpp | 6 +++--- src/dump_custom.cpp | 12 +++++------- src/dump_image.cpp | 6 +++--- src/dump_local.cpp | 8 ++++---- src/fix_ave_chunk.cpp | 3 +-- 18 files changed, 60 insertions(+), 76 deletions(-) diff --git a/src/angle_hybrid.cpp b/src/angle_hybrid.cpp index d7e3051b90..1295776bef 100644 --- a/src/angle_hybrid.cpp +++ b/src/angle_hybrid.cpp @@ -183,16 +183,16 @@ void AngleHybrid::allocate() void AngleHybrid::settings(int narg, char **arg) { - int i,m,istyle; + int i, m,istyle; if (narg < 1) error->all(FLERR,"Illegal angle_style command"); // delete old lists, since cannot just change settings if (nstyles) { - for (int i = 0; i < nstyles; i++) delete styles[i]; + for (i = 0; i < nstyles; i++) delete styles[i]; delete [] styles; - for (int i = 0; i < nstyles; i++) delete [] keywords[i]; + for (i = 0; i < nstyles; i++) delete [] keywords[i]; delete [] keywords; } @@ -201,7 +201,7 @@ void AngleHybrid::settings(int narg, char **arg) memory->destroy(map); delete [] nanglelist; delete [] maxangle; - for (int i = 0; i < nstyles; i++) + for (i = 0; i < nstyles; i++) memory->destroy(anglelist[i]); delete [] anglelist; } diff --git a/src/atom_vec_hybrid.cpp b/src/atom_vec_hybrid.cpp index 6ddb72a1bf..7faa5cc145 100644 --- a/src/atom_vec_hybrid.cpp +++ b/src/atom_vec_hybrid.cpp @@ -98,7 +98,7 @@ void AtomVecHybrid::process_args(int narg, char **arg) // call process_args() with set of args that are not atom style names // use known_style() to determine which args these are - int i,jarg,dummy; + int i,k,jarg,dummy; int iarg = 0; nstyles = 0; @@ -123,7 +123,7 @@ void AtomVecHybrid::process_args(int narg, char **arg) molecular = Atom::ATOMIC; maxexchange = 0; - for (int k = 0; k < nstyles; k++) { + for (k = 0; k < nstyles; k++) { if ((styles[k]->molecular == Atom::MOLECULAR && molecular == Atom::TEMPLATE) || (styles[k]->molecular == Atom::TEMPLATE && molecular == Atom::MOLECULAR)) error->all(FLERR, @@ -147,7 +147,7 @@ void AtomVecHybrid::process_args(int narg, char **arg) int mass_pertype = 0; int mass_peratom = 0; - for (int k = 0; k < nstyles; k++) { + for (k = 0; k < nstyles; k++) { if (styles[k]->mass_type == 0) mass_peratom = 1; if (styles[k]->mass_type == 1) mass_pertype = 1; } @@ -159,14 +159,14 @@ void AtomVecHybrid::process_args(int narg, char **arg) // free allstyles created by build_styles() - for (int i = 0; i < nallstyles; i++) delete [] allstyles[i]; + for (i = 0; i < nallstyles; i++) delete [] allstyles[i]; delete [] allstyles; // set field strings from all substyles fieldstrings = new FieldStrings[nstyles]; - for (int k = 0; k < nstyles; k++) { + for (k = 0; k < nstyles; k++) { fieldstrings[k].fstr = new char*[NFIELDSTRINGS]; fieldstrings[k].fstr[0] = styles[k]->fields_grow; fieldstrings[k].fstr[1] = styles[k]->fields_copy; @@ -226,7 +226,7 @@ void AtomVecHybrid::process_args(int narg, char **arg) // sum two sizes over contributions from each substyle with bonus data. nstyles_bonus = 0; - for (int k = 0; k < nstyles; k++) + for (k = 0; k < nstyles; k++) if (styles[k]->bonus_flag) nstyles_bonus++; if (nstyles_bonus) { @@ -235,7 +235,7 @@ void AtomVecHybrid::process_args(int narg, char **arg) nstyles_bonus = 0; size_forward_bonus = 0; size_border_bonus = 0; - for (int k = 0; k < nstyles; k++) { + for (k = 0; k < nstyles; k++) { if (styles[k]->bonus_flag) { styles_bonus[nstyles_bonus++] = styles[k]; size_forward_bonus += styles[k]->size_forward_bonus; diff --git a/src/balance.cpp b/src/balance.cpp index bf037e8f8f..0746ece1f0 100644 --- a/src/balance.cpp +++ b/src/balance.cpp @@ -919,7 +919,7 @@ int Balance::shift() // do this with minimal adjustment to splits double close = (1.0+EPSNEIGH) * neighbor->skin / boxsize; - double delta,midpt,start,stop,lbound,ubound,spacing; + double midpt,start,stop,lbound,ubound,spacing; i = 0; while (i < np) { @@ -1094,7 +1094,7 @@ int Balance::adjust(int n, double *split) } int change = 0; - for (int i = 1; i < n; i++) + for (i = 1; i < n; i++) if (sum[i] != target[i]) { change = 1; if (rho == 0) split[i] = 0.5 * (lo[i]+hi[i]); diff --git a/src/bond_hybrid.cpp b/src/bond_hybrid.cpp index f1debc0676..3a316d995d 100644 --- a/src/bond_hybrid.cpp +++ b/src/bond_hybrid.cpp @@ -182,9 +182,9 @@ void BondHybrid::settings(int narg, char **arg) // delete old lists, since cannot just change settings if (nstyles) { - for (int i = 0; i < nstyles; i++) delete styles[i]; + for (i = 0; i < nstyles; i++) delete styles[i]; delete [] styles; - for (int i = 0; i < nstyles; i++) delete [] keywords[i]; + for (i = 0; i < nstyles; i++) delete [] keywords[i]; delete [] keywords; has_quartic = -1; } @@ -194,7 +194,7 @@ void BondHybrid::settings(int narg, char **arg) memory->destroy(map); delete [] nbondlist; delete [] maxbond; - for (int i = 0; i < nstyles; i++) + for (i = 0; i < nstyles; i++) memory->destroy(bondlist[i]); delete [] bondlist; } diff --git a/src/change_box.cpp b/src/change_box.cpp index 4471d85132..78f1261caf 100644 --- a/src/change_box.cpp +++ b/src/change_box.cpp @@ -193,7 +193,7 @@ void ChangeBox::command(int narg, char **arg) // compute scale factors if FINAL,DELTA used since they have distance units int flag = 0; - for (int i = 0; i < nops; i++) + for (i = 0; i < nops; i++) if (ops[i].style == FINAL || ops[i].style == DELTA) flag = 1; if (flag && scaleflag) { @@ -295,7 +295,7 @@ void ChangeBox::command(int narg, char **arg) if (output->ndump) error->all(FLERR, "Cannot change box ortho/triclinic with dumps defined"); - for (int i = 0; i < modify->nfix; i++) + for (i = 0; i < modify->nfix; i++) if (modify->fix[i]->no_change_box) error->all(FLERR, "Cannot change box ortho/triclinic with " @@ -310,7 +310,7 @@ void ChangeBox::command(int narg, char **arg) if (output->ndump) error->all(FLERR, "Cannot change box ortho/triclinic with dumps defined"); - for (int i = 0; i < modify->nfix; i++) + for (i = 0; i < modify->nfix; i++) if (modify->fix[i]->no_change_box) error->all(FLERR, "Cannot change box ortho/triclinic with " diff --git a/src/compute_angmom_chunk.cpp b/src/compute_angmom_chunk.cpp index 39cae07503..4fd2e14661 100644 --- a/src/compute_angmom_chunk.cpp +++ b/src/compute_angmom_chunk.cpp @@ -101,7 +101,7 @@ void ComputeAngmomChunk::compute_array() // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { massproc[i] = 0.0; com[i][0] = com[i][1] = com[i][2] = 0.0; angmom[i][0] = angmom[i][1] = angmom[i][2] = 0.0; @@ -117,7 +117,7 @@ void ComputeAngmomChunk::compute_array() double *rmass = atom->rmass; int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { index = ichunk[i]-1; if (index < 0) continue; @@ -133,7 +133,7 @@ void ComputeAngmomChunk::compute_array() MPI_Allreduce(massproc,masstotal,nchunk,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&com[0][0],&comall[0][0],3*nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { if (masstotal[i] > 0.0) { comall[i][0] /= masstotal[i]; comall[i][1] /= masstotal[i]; diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index 9d40fa0fd5..8a9bb1fdf4 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -269,7 +269,7 @@ void ComputeCentroAtom::compute_peratom() delx = x[jj][0] + x[kk][0] - 2.0*xtmp; dely = x[jj][1] + x[kk][1] - 2.0*ytmp; delz = x[jj][2] + x[kk][2] - 2.0*ztmp; - double rsq = delx*delx + dely*dely + delz*delz; + rsq = delx*delx + dely*dely + delz*delz; pairs[n++] = rsq; if (rsq < rsq2) { diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index 5960e1fc6f..26967a1b12 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -687,6 +687,7 @@ void ComputeChunkAtom::compute_ichunk() // or if idsflag = NFREQ and lock is in place and are on later timestep // else proceed to recalculate per-atom chunk assignments + const int nlocal = atom->nlocal; int restore = 0; if (idsflag == ONCE && invoked_ichunk >= 0) restore = 1; if (idsflag == NFREQ && lockfix && update->ntimestep > lockstart) restore = 1; @@ -694,7 +695,6 @@ void ComputeChunkAtom::compute_ichunk() if (restore) { invoked_ichunk = update->ntimestep; double *vstore = fixstore->vstore; - int nlocal = atom->nlocal; for (i = 0; i < nlocal; i++) ichunk[i] = static_cast (vstore[i]); return; } @@ -711,8 +711,6 @@ void ComputeChunkAtom::compute_ichunk() // compress chunk IDs via hash of the original uncompressed IDs // also apply discard rule except for binning styles which already did - int nlocal = atom->nlocal; - if (compress) { if (binflag) { for (i = 0; i < nlocal; i++) { @@ -761,8 +759,7 @@ void ComputeChunkAtom::compute_ichunk() if (idsflag == ONCE || (idsflag == NFREQ && lockfix)) { double *vstore = fixstore->vstore; - int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) vstore[i] = ichunk[i]; + for (i = 0; i < nlocal; i++) vstore[i] = ichunk[i]; } // one-time check if which = MOLECULE and @@ -897,7 +894,7 @@ void ComputeChunkAtom::assign_chunk_ids() double **x = atom->x; int *mask = atom->mask; - int nlocal = atom->nlocal; + const int nlocal = atom->nlocal; if (regionflag) { for (i = 0; i < nlocal; i++) { diff --git a/src/compute_dipole_chunk.cpp b/src/compute_dipole_chunk.cpp index 708ea3f755..5594229a97 100644 --- a/src/compute_dipole_chunk.cpp +++ b/src/compute_dipole_chunk.cpp @@ -119,7 +119,7 @@ void ComputeDipoleChunk::compute_array() // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { massproc[i] = chrgproc[i] = 0.0; com[i][0] = com[i][1] = com[i][2] = 0.0; dipole[i][0] = dipole[i][1] = dipole[i][2] = dipole[i][3] = 0.0; @@ -138,7 +138,7 @@ void ComputeDipoleChunk::compute_array() int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { index = ichunk[i]-1; if (index < 0) continue; @@ -159,7 +159,7 @@ void ComputeDipoleChunk::compute_array() MPI_Allreduce(chrgproc,chrgtotal,nchunk,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&com[0][0],&comall[0][0],3*nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { if (masstotal[i] > 0.0) { comall[i][0] /= masstotal[i]; comall[i][1] /= masstotal[i]; diff --git a/src/compute_global_atom.cpp b/src/compute_global_atom.cpp index e49ee69b07..5097032708 100644 --- a/src/compute_global_atom.cpp +++ b/src/compute_global_atom.cpp @@ -74,14 +74,14 @@ ComputeGlobalAtom::ComputeGlobalAtom(LAMMPS *lmp, int narg, char **arg) : nvalues = 0; for (iarg = 0; iarg < nargnew; iarg++) { - ArgInfo argi(arg[iarg]); + ArgInfo argi2(arg[iarg]); - which[nvalues] = argi.get_type(); - argindex[nvalues] = argi.get_index1(); - ids[nvalues] = argi.copy_name(); + which[nvalues] = argi2.get_type(); + argindex[nvalues] = argi2.get_index1(); + ids[nvalues] = argi2.copy_name(); if ((which[nvalues] == ArgInfo::UNKNOWN) || (which[nvalues] == ArgInfo::NONE) - || (argi.get_dim() > 1)) + || (argi2.get_dim() > 1)) error->all(FLERR,"Illegal compute slice command"); nvalues++; diff --git a/src/compute_reduce_region.cpp b/src/compute_reduce_region.cpp index 626a681bbd..0a8526bb8f 100644 --- a/src/compute_reduce_region.cpp +++ b/src/compute_reduce_region.cpp @@ -109,18 +109,16 @@ double ComputeReduceRegion::compute_one(int m, int flag) if (j == 0) { double *compute_vector = compute->vector_atom; - int n = nlocal; if (flag < 0) { - for (i = 0; i < n; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) combine(one,compute_vector[i],i); } else one = compute_vector[flag]; } else { double **compute_array = compute->array_atom; - int n = nlocal; int jm1 = j - 1; if (flag < 0) { - for (i = 0; i < n; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) combine(one,compute_array[i][jm1],i); } else one = compute_array[flag][jm1]; @@ -134,17 +132,15 @@ double ComputeReduceRegion::compute_one(int m, int flag) if (j == 0) { double *compute_vector = compute->vector_local; - int n = compute->size_local_rows; if (flag < 0) - for (i = 0; i < n; i++) + for (i = 0; i < compute->size_local_rows; i++) combine(one,compute_vector[i],i); else one = compute_vector[flag]; } else { double **compute_array = compute->array_local; - int n = compute->size_local_rows; int jm1 = j - 1; if (flag < 0) - for (i = 0; i < n; i++) + for (i = 0; i < compute->size_local_rows; i++) combine(one,compute_array[i][jm1],i); else one = compute_array[flag][jm1]; } @@ -161,9 +157,8 @@ double ComputeReduceRegion::compute_one(int m, int flag) if (flavor[m] == PERATOM) { if (j == 0) { double *fix_vector = fix->vector_atom; - int n = nlocal; if (flag < 0) { - for (i = 0; i < n; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) combine(one,fix_vector[i],i); } else one = fix_vector[flag]; @@ -180,17 +175,15 @@ double ComputeReduceRegion::compute_one(int m, int flag) } else if (flavor[m] == LOCAL) { if (j == 0) { double *fix_vector = fix->vector_local; - int n = fix->size_local_rows; if (flag < 0) - for (i = 0; i < n; i++) + for (i = 0; i < fix->size_local_rows; i++) combine(one,fix_vector[i],i); else one = fix_vector[flag]; } else { double **fix_array = fix->array_local; - int n = fix->size_local_rows; int jm1 = j - 1; if (flag < 0) - for (i = 0; i < n; i++) + for (i = 0; i < fix->size_local_rows; i++) combine(one,fix_array[i][jm1],i); else one = fix_array[flag][jm1]; } diff --git a/src/compute_temp_sphere.cpp b/src/compute_temp_sphere.cpp index b8ac7cf566..5cd7dce43a 100644 --- a/src/compute_temp_sphere.cpp +++ b/src/compute_temp_sphere.cpp @@ -135,8 +135,8 @@ void ComputeTempSphere::dof_compute() // user should correct this via compute_modify if needed double *radius = atom->radius; - int *mask = atom->mask; - int nlocal = atom->nlocal; + const int *mask = atom->mask; + const int nlocal = atom->nlocal; count = 0; if (domain->dimension == 3) { @@ -170,9 +170,6 @@ void ComputeTempSphere::dof_compute() if (mode == ALL) dof -= tbias->dof_remove(-1) * natoms_temp; } else if (tempbias == 2) { - int *mask = atom->mask; - int nlocal = atom->nlocal; - tbias->dof_remove_pre(); count = 0; diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp index bedbe4b436..d50fcbf3f7 100644 --- a/src/create_bonds.cpp +++ b/src/create_bonds.cpp @@ -310,7 +310,7 @@ void CreateBonds::many() // recount bonds bigint nbonds = 0; - for (int i = 0; i < nlocal; i++) nbonds += num_bond[i]; + for (i = 0; i < nlocal; i++) nbonds += num_bond[i]; MPI_Allreduce(&nbonds,&atom->nbonds,1,MPI_LMP_BIGINT,MPI_SUM,world); if (!force->newton_bond) atom->nbonds /= 2; diff --git a/src/dihedral_hybrid.cpp b/src/dihedral_hybrid.cpp index c30c0705f6..caebd2a079 100644 --- a/src/dihedral_hybrid.cpp +++ b/src/dihedral_hybrid.cpp @@ -177,9 +177,9 @@ void DihedralHybrid::settings(int narg, char **arg) // delete old lists, since cannot just change settings if (nstyles) { - for (int i = 0; i < nstyles; i++) delete styles[i]; + for (i = 0; i < nstyles; i++) delete styles[i]; delete [] styles; - for (int i = 0; i < nstyles; i++) delete [] keywords[i]; + for (i = 0; i < nstyles; i++) delete [] keywords[i]; delete [] keywords; } @@ -188,7 +188,7 @@ void DihedralHybrid::settings(int narg, char **arg) memory->destroy(map); delete [] ndihedrallist; delete [] maxdihedral; - for (int i = 0; i < nstyles; i++) + for (i = 0; i < nstyles; i++) memory->destroy(dihedrallist[i]); delete [] dihedrallist; } diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 53094849ac..40b3e6fc28 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -317,14 +317,14 @@ void DumpCustom::init_style() // check that fix frequency is acceptable int icompute; - for (int i = 0; i < ncompute; i++) { + for (i = 0; i < ncompute; i++) { icompute = modify->find_compute(id_compute[i]); if (icompute < 0) error->all(FLERR,"Could not find dump custom compute ID"); compute[i] = modify->compute[icompute]; } int ifix; - for (int i = 0; i < nfix; i++) { + for (i = 0; i < nfix; i++) { ifix = modify->find_fix(id_fix[i]); if (ifix < 0) error->all(FLERR,"Could not find dump custom fix ID"); fix[i] = modify->fix[ifix]; @@ -333,7 +333,7 @@ void DumpCustom::init_style() } int ivariable; - for (int i = 0; i < nvariable; i++) { + for (i = 0; i < nvariable; i++) { ivariable = input->variable->find(id_variable[i]); if (ivariable < 0) error->all(FLERR,"Could not find dump custom variable name"); @@ -341,7 +341,7 @@ void DumpCustom::init_style() } int icustom; - for (int i = 0; i < ncustom; i++) { + for (i = 0; i < ncustom; i++) { icustom = atom->find_custom(id_custom[i],flag_custom[i]); if (icustom < 0) error->all(FLERR,"Could not find custom per-atom property ID"); @@ -546,7 +546,7 @@ int DumpCustom::count() // grow choose and variable vbuf arrays if needed - int nlocal = atom->nlocal; + const int nlocal = atom->nlocal; if (atom->nmax > maxlocal) { maxlocal = atom->nmax; @@ -620,7 +620,6 @@ int DumpCustom::count() double *values; double value; int nstride,lastflag; - int nlocal = atom->nlocal; for (int ithresh = 0; ithresh < nthresh; ithresh++) { @@ -1536,7 +1535,6 @@ int DumpCustom::parse_fields(int narg, char **arg) default: return iarg; - break; } } } diff --git a/src/dump_image.cpp b/src/dump_image.cpp index 69ebad9c52..4b7c6e3cf8 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -1042,7 +1042,7 @@ void DumpImage::create_image() // render outline of my sub-box, orthogonal or triclinic if (subboxflag) { - double diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); + diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); if (domain->dimension == 3) diameter = MIN(diameter,boxzhi-boxzlo); diameter *= subboxdiam; @@ -1072,7 +1072,7 @@ void DumpImage::create_image() // render outline of simulation box, orthogonal or triclinic if (boxflag) { - double diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); + diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); if (domain->dimension == 3) diameter = MIN(diameter,boxzhi-boxzlo); diameter *= boxdiam; @@ -1100,7 +1100,7 @@ void DumpImage::create_image() // offset by 10% of box size and scale by axeslen if (axesflag) { - double diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); + diameter = MIN(boxxhi-boxxlo,boxyhi-boxylo); if (domain->dimension == 3) diameter = MIN(diameter,boxzhi-boxzlo); diameter *= axesdiam; diff --git a/src/dump_local.cpp b/src/dump_local.cpp index 0f8d139f66..a354c6fbba 100644 --- a/src/dump_local.cpp +++ b/src/dump_local.cpp @@ -198,14 +198,14 @@ void DumpLocal::init_style() // check that fix frequency is acceptable int icompute; - for (int i = 0; i < ncompute; i++) { + for (i = 0; i < ncompute; i++) { icompute = modify->find_compute(id_compute[i]); if (icompute < 0) error->all(FLERR,"Could not find dump local compute ID"); compute[i] = modify->compute[icompute]; } int ifix; - for (int i = 0; i < nfix; i++) { + for (i = 0; i < nfix; i++) { ifix = modify->find_fix(id_fix[i]); if (ifix < 0) error->all(FLERR,"Could not find dump local fix ID"); fix[i] = modify->fix[ifix]; @@ -332,14 +332,14 @@ int DumpLocal::count() nmine = -1; - for (int i = 0; i < ncompute; i++) { + for (i = 0; i < ncompute; i++) { if (nmine < 0) nmine = compute[i]->size_local_rows; else if (nmine != compute[i]->size_local_rows) error->one(FLERR, "Dump local count is not consistent across input fields"); } - for (int i = 0; i < nfix; i++) { + for (i = 0; i < nfix; i++) { if (nmine < 0) nmine = fix[i]->size_local_rows; else if (nmine != fix[i]->size_local_rows) error->one(FLERR, diff --git a/src/fix_ave_chunk.cpp b/src/fix_ave_chunk.cpp index b0a99d332a..07064ded4c 100644 --- a/src/fix_ave_chunk.cpp +++ b/src/fix_ave_chunk.cpp @@ -488,7 +488,7 @@ void FixAveChunk::init() for (int m = 0; m < nvalues; m++) { if (which[m] == ArgInfo::COMPUTE) { - int icompute = modify->find_compute(ids[m]); + icompute = modify->find_compute(ids[m]); if (icompute < 0) error->all(FLERR,"Compute ID for fix ave/chunk does not exist"); value2index[m] = icompute; @@ -984,7 +984,6 @@ void FixAveChunk::end_of_step() } } } else { - int j; if (ncoord == 0) { for (m = 0; m < nchunk; m++) { fprintf(fp," %d %d %g",m+1,chunkID[m],count_total[m]/normcount); From fe063b27c73d7b82c0b3993fe502d1d6608e2687 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 15:51:16 -0400 Subject: [PATCH 29/48] silence compiler warnings --- src/dump_image.cpp | 2 +- src/fix_adapt.cpp | 2 +- src/fix_ave_time.cpp | 1 - src/fix_deform.cpp | 2 +- src/fix_heat.cpp | 2 +- src/fix_momentum.cpp | 9 +++------ src/fix_nh.cpp | 12 ++++++------ src/group.cpp | 2 +- src/improper_hybrid.cpp | 6 +++--- src/input.cpp | 4 ++-- src/library.cpp | 5 ++--- 11 files changed, 21 insertions(+), 26 deletions(-) diff --git a/src/dump_image.cpp b/src/dump_image.cpp index 4b7c6e3cf8..c5dd7b455a 100644 --- a/src/dump_image.cpp +++ b/src/dump_image.cpp @@ -1244,7 +1244,7 @@ int DumpImage::modify_param(int narg, char **arg) else error->all(FLERR,"Illegal dump_modify command"); int nentry = utils::inumeric(FLERR,arg[5],false,lmp); if (nentry < 1) error->all(FLERR,"Illegal dump_modify command"); - int n = 6 + factor*nentry; + n = 6 + factor*nentry; if (narg < n) error->all(FLERR,"Illegal dump_modify command"); int flag = image->map_reset(0,n-1,&arg[1]); if (flag) error->all(FLERR,"Illegal dump_modify command"); diff --git a/src/fix_adapt.cpp b/src/fix_adapt.cpp index 51fdb16d5d..7db16badc9 100644 --- a/src/fix_adapt.cpp +++ b/src/fix_adapt.cpp @@ -302,7 +302,7 @@ void FixAdapt::init() // allow a dynamic group only if ATOM attribute not used if (group->dynamic[igroup]) - for (int i = 0; i < nadapt; i++) + for (i = 0; i < nadapt; i++) if (adapt[i].which == ATOM) error->all(FLERR,"Cannot use dynamic group with fix adapt atom"); diff --git a/src/fix_ave_time.cpp b/src/fix_ave_time.cpp index 7ecb88ddab..5e640aa37a 100644 --- a/src/fix_ave_time.cpp +++ b/src/fix_ave_time.cpp @@ -723,7 +723,6 @@ void FixAveTime::invoke_vector(bigint ntimestep) allocate_arrays(); } - bigint ntimestep = update->ntimestep; int lockforever_flag = 0; for (i = 0; i < nvalues; i++) { if (!varlen[i] || which[i] != ArgInfo::COMPUTE) continue; diff --git a/src/fix_deform.cpp b/src/fix_deform.cpp index b3e5722ee1..2624b30181 100644 --- a/src/fix_deform.cpp +++ b/src/fix_deform.cpp @@ -714,7 +714,7 @@ void FixDeform::end_of_step() // set new box size for VOLUME dims that are linked to other dims // NOTE: still need to set h_rate for these dims - for (int i = 0; i < 3; i++) { + for (i = 0; i < 3; i++) { if (set[i].style != VOLUME) continue; if (set[i].substyle == ONE_FROM_ONE) { diff --git a/src/fix_heat.cpp b/src/fix_heat.cpp index 920d06dc49..14f2cceca2 100644 --- a/src/fix_heat.cpp +++ b/src/fix_heat.cpp @@ -213,7 +213,7 @@ void FixHeat::end_of_step() v[i][2] = scale*v[i][2] - vsub[2]; } } else { - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit && region->match(x[i][0],x[i][1],x[i][2])) { v[i][0] = scale*v[i][0] - vsub[0]; v[i][1] = scale*v[i][1] - vsub[1]; diff --git a/src/fix_momentum.cpp b/src/fix_momentum.cpp index da86473e61..509da7d0fd 100644 --- a/src/fix_momentum.cpp +++ b/src/fix_momentum.cpp @@ -95,8 +95,11 @@ void FixMomentum::init() void FixMomentum::end_of_step() { + double **x = atom->x; double **v = atom->v; int *mask = atom->mask; + imageint *image = atom->image; + const int nlocal = atom->nlocal; double ekin_old,ekin_new; ekin_old = ekin_new = 0.0; @@ -157,12 +160,6 @@ void FixMomentum::end_of_step() // vnew_i = v_i - w x r_i // must use unwrapped coords to compute r_i correctly - double **x = atom->x; - double **v = atom->v; - int *mask = atom->mask; - imageint *image = atom->image; - int nlocal = atom->nlocal; - double dx,dy,dz; double unwrap[3]; diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp index d95763f06b..e8b58a6152 100644 --- a/src/fix_nh.cpp +++ b/src/fix_nh.cpp @@ -1092,7 +1092,7 @@ void FixNH::remap() // omega is not used, except for book-keeping - for (int i = 0; i < 6; i++) omega[i] += dto*omega_dot[i]; + for (i = 0; i < 6; i++) omega[i] += dto*omega_dot[i]; // convert pertinent atoms and rigid bodies to lamda coords @@ -1781,7 +1781,7 @@ void FixNH::nhc_temp_integrate() if (eta_mass_flag) { eta_mass[0] = tdof * boltz * t_target / (t_freq*t_freq); - for (int ich = 1; ich < mtchain; ich++) + for (ich = 1; ich < mtchain; ich++) eta_mass[ich] = boltz * t_target / (t_freq*t_freq); } @@ -1853,12 +1853,12 @@ void FixNH::nhc_press_integrate() if (omega_mass_flag) { double nkt = (atom->natoms + 1) * kt; - for (int i = 0; i < 3; i++) + for (i = 0; i < 3; i++) if (p_flag[i]) omega_mass[i] = nkt/(p_freq[i]*p_freq[i]); if (pstyle == TRICLINIC) { - for (int i = 3; i < 6; i++) + for (i = 3; i < 6; i++) if (p_flag[i]) omega_mass[i] = nkt/(p_freq[i]*p_freq[i]); } } @@ -1866,9 +1866,9 @@ void FixNH::nhc_press_integrate() if (etap_mass_flag) { if (mpchain) { etap_mass[0] = boltz * t_target / (p_freq_max*p_freq_max); - for (int ich = 1; ich < mpchain; ich++) + for (ich = 1; ich < mpchain; ich++) etap_mass[ich] = boltz * t_target / (p_freq_max*p_freq_max); - for (int ich = 1; ich < mpchain; ich++) + for (ich = 1; ich < mpchain; ich++) etap_dotdot[ich] = (etap_mass[ich-1]*etap_dot[ich-1]*etap_dot[ich-1] - boltz * t_target) / etap_mass[ich]; diff --git a/src/group.cpp b/src/group.cpp index 9e140779ef..0f46e17152 100644 --- a/src/group.cpp +++ b/src/group.cpp @@ -494,7 +494,7 @@ void Group::assign(int narg, char **arg) std::string fixcmd = "GROUP_"; fixcmd += fmt::format("{} {} GROUP",names[igroup],arg[2]); - for (int i = 3; i < narg; i++) fixcmd += std::string(" ") + arg[i]; + for (i = 3; i < narg; i++) fixcmd += std::string(" ") + arg[i]; modify->add_fix(fixcmd); // style = static diff --git a/src/improper_hybrid.cpp b/src/improper_hybrid.cpp index fd5d76049b..23f6633ef2 100644 --- a/src/improper_hybrid.cpp +++ b/src/improper_hybrid.cpp @@ -185,9 +185,9 @@ void ImproperHybrid::settings(int narg, char **arg) // delete old lists, since cannot just change settings if (nstyles) { - for (int i = 0; i < nstyles; i++) delete styles[i]; + for (i = 0; i < nstyles; i++) delete styles[i]; delete [] styles; - for (int i = 0; i < nstyles; i++) delete [] keywords[i]; + for (i = 0; i < nstyles; i++) delete [] keywords[i]; delete [] keywords; } @@ -196,7 +196,7 @@ void ImproperHybrid::settings(int narg, char **arg) memory->destroy(map); delete [] nimproperlist; delete [] maximproper; - for (int i = 0; i < nstyles; i++) + for (i = 0; i < nstyles; i++) memory->destroy(improperlist[i]); delete [] improperlist; } diff --git a/src/input.cpp b/src/input.cpp index d3352b380a..f71dffbf54 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -887,7 +887,7 @@ void Input::ifthenelse() char **commands = new char*[ncommands]; ncommands = 0; for (int i = first; i <= last; i++) { - int n = strlen(arg[i]) + 1; + n = strlen(arg[i]) + 1; if (n == 1) error->all(FLERR,"Illegal if command"); commands[ncommands] = new char[n]; strcpy(commands[ncommands],arg[i]); @@ -940,7 +940,7 @@ void Input::ifthenelse() char **commands = new char*[ncommands]; ncommands = 0; for (int i = first; i <= last; i++) { - int n = strlen(arg[i]) + 1; + n = strlen(arg[i]) + 1; if (n == 1) error->all(FLERR,"Illegal if command"); commands[ncommands] = new char[n]; strcpy(commands[ncommands],arg[i]); diff --git a/src/library.cpp b/src/library.cpp index c51006f8d8..b85abe6bad 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -1952,8 +1952,9 @@ void *lammps_extract_variable(void *handle, const char *name, const char *group) } } END_CAPTURE - +#if defined(LAMMPS_EXCEPTIONS) return nullptr; +#endif } /* ---------------------------------------------------------------------- */ @@ -2207,7 +2208,6 @@ void lammps_gather_atoms_concat(void *handle, char *name, int type, int count, v MPI_INT,lmp->world); } else if (imgunpack) { - int *copy; lmp->memory->create(copy,count*nlocal,"lib/gather:copy"); offset = 0; for (i = 0; i < nlocal; i++) { @@ -3057,7 +3057,6 @@ void lammps_gather_concat(void *handle, char *name, int type, int count, void *d MPI_INT,lmp->world); } else if (imgunpack) { - int *copy; lmp->memory->create(copy,count*nlocal,"lib/gather:copy"); offset = 0; for (i = 0; i < nlocal; i++) { From f759e6ffcf59942132964e8da080d1e765802882 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 15:51:43 -0400 Subject: [PATCH 30/48] don't implicitly assume an undefined define equals 0 --- src/info.cpp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/src/info.cpp b/src/info.cpp index 18926ed49e..099a4582dc 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -1269,18 +1269,18 @@ std::string Info::get_os_info() std::string Info::get_compiler_info() { std::string buf; -#if __INTEL_LLVM_COMPILER +#if defined(__INTEL_LLVM_COMPILER) double version = static_cast(__INTEL_LLVM_COMPILER)*0.01; buf = fmt::format("Intel LLVM C++ {:.1f} / {}", version, __VERSION__); -#elif __clang__ +#elif defined(__clang__) buf = fmt::format("Clang C++ {}", __VERSION__); -#elif __PGI +#elif defined(__PGI) buf = fmt::format("PGI C++ {}.{}",__PGIC__,__PGIC_MINOR__); -#elif __INTEL_COMPILER +#elif defined(__INTEL_COMPILER) double version = static_cast(__INTEL_COMPILER)*0.01; buf = fmt::format("Intel Classic C++ {:.2f}.{} / {}", version, __INTEL_COMPILER_UPDATE, __VERSION__); -#elif __GNUC__ +#elif defined(__GNUC__) buf = fmt::format("GNU C++ {}", __VERSION__); #else buf = "(Unknown)"; From ef858ae70fc03752a16b49f670d50597fef61513 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:19:57 -0400 Subject: [PATCH 31/48] silence compiler warnings --- src/KSPACE/ewald_dipole.cpp | 1 - src/KSPACE/msm_cg.cpp | 4 +- src/KSPACE/pair_buck_coul_msm.cpp | 2 +- src/KSPACE/pair_buck_long_coul_long.cpp | 35 +++++++++-------- src/lmppython.cpp | 6 +-- src/math_extra.cpp | 4 +- src/neighbor.cpp | 4 +- src/read_dump.cpp | 6 +-- src/read_restart.cpp | 4 +- src/replicate.cpp | 2 +- src/text_file_reader.cpp | 2 +- src/utils.cpp | 4 +- src/variable.cpp | 50 ++++++++++++------------- 13 files changed, 61 insertions(+), 63 deletions(-) diff --git a/src/KSPACE/ewald_dipole.cpp b/src/KSPACE/ewald_dipole.cpp index 34c72dafc5..b918adede3 100644 --- a/src/KSPACE/ewald_dipole.cpp +++ b/src/KSPACE/ewald_dipole.cpp @@ -806,7 +806,6 @@ void EwaldDipole::slabcorr() if (atom->torque) { double ffact = qscale * (-4.0*MY_PI/volume); - double **mu = atom->mu; double **torque = atom->torque; for (int i = 0; i < nlocal; i++) { torque[i][0] += ffact * dipole_all * mu[i][1]; diff --git a/src/KSPACE/msm_cg.cpp b/src/KSPACE/msm_cg.cpp index 4c9384f13e..6123aedfb8 100644 --- a/src/KSPACE/msm_cg.cpp +++ b/src/KSPACE/msm_cg.cpp @@ -166,7 +166,7 @@ void MSMCG::compute(int eflag, int vflag) // forward communicate charge density values to fill ghost grid points // compute direct sum interaction and then restrict to coarser grid - for (int n=0; n<=levels-2; n++) { + for (n=0; n<=levels-2; n++) { if (!active_flag[n]) continue; current_level = n; gc[n]->forward_comm_kspace(this,1,sizeof(double),FORWARD_RHO, @@ -209,7 +209,7 @@ void MSMCG::compute(int eflag, int vflag) // prolongate energy/virial from coarser grid to finer grid // reverse communicate from ghost grid points to get full sum - for (int n=levels-2; n>=0; n--) { + for (n=levels-2; n>=0; n--) { if (!active_flag[n]) continue; prolongation(n); diff --git a/src/KSPACE/pair_buck_coul_msm.cpp b/src/KSPACE/pair_buck_coul_msm.cpp index c7d237b161..c4ee5ce6f6 100644 --- a/src/KSPACE/pair_buck_coul_msm.cpp +++ b/src/KSPACE/pair_buck_coul_msm.cpp @@ -191,7 +191,7 @@ void PairBuckCoulMSM::compute(int eflag, int vflag) if (force->kspace->scalar_pressure_flag && vflag) { for (i = 0; i < 3; i++) virial[i] += force->pair->eng_coul/3.0; - for (int i = 0; i < nmax; i++) { + for (i = 0; i < nmax; i++) { f[i][0] += ftmp[i][0]; f[i][1] += ftmp[i][1]; f[i][2] += ftmp[i][2]; diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index f392179152..fa5b624462 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -506,40 +506,39 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag) if (order1 && (rsq < cut_coulsq)) { // coulombic if (!ncoultablebits || rsq <= tabinnersq) { // series real space - double x = g_ewald*r; - double s = qri*q[j], t = 1.0/(1.0+EWALD_P*x); + double x1 = g_ewald*r; + double s = qri*q[j], t = 1.0/(1.0+EWALD_P*x1); if (ni == 0) { - s *= g_ewald*exp(-x*x); - force_coul = (t *= ((((t*A5+A4)*t+A3)*t+A2)*t+A1)*s/x)+EWALD_F*s; + s *= g_ewald*exp(-x1*x1); + force_coul = (t *= ((((t*A5+A4)*t+A3)*t+A2)*t+A1)*s/x1)+EWALD_F*s; if (eflag) ecoul = t; - } - else { // special case - double f = s*(1.0-special_coul[ni])/r; - s *= g_ewald*exp(-x*x); - force_coul = (t *= ((((t*A5+A4)*t+A3)*t+A2)*t+A1)*s/x)+EWALD_F*s-f; - if (eflag) ecoul = t-f; + } else { // special case + double fc = s*(1.0-special_coul[ni])/r; + s *= g_ewald*exp(-x1*x1); + force_coul = (t *= ((((t*A5+A4)*t+A3)*t+A2)*t+A1)*s/x1)+EWALD_F*s-fc; + if (eflag) ecoul = t-fc; } } // table real space else { union_int_float_t t; t.f = rsq; const int k = (t.i & ncoulmask) >> ncoulshiftbits; - double f = (rsq-rtable[k])*drtable[k], qiqj = qi*q[j]; + double fc = (rsq-rtable[k])*drtable[k], qiqj = qi*q[j]; if (ni == 0) { - force_coul = qiqj*(ftable[k]+f*dftable[k]); - if (eflag) ecoul = qiqj*(etable[k]+f*detable[k]); + force_coul = qiqj*(ftable[k]+fc*dftable[k]); + if (eflag) ecoul = qiqj*(etable[k]+fc*detable[k]); } else { // special case - t.f = (1.0-special_coul[ni])*(ctable[k]+f*dctable[k]); - force_coul = qiqj*(ftable[k]+f*dftable[k]-t.f); - if (eflag) ecoul = qiqj*(etable[k]+f*detable[k]-t.f); + t.f = (1.0-special_coul[ni])*(ctable[k]+fc*dctable[k]); + force_coul = qiqj*(ftable[k]+fc*dftable[k]-t.f); + if (eflag) ecoul = qiqj*(etable[k]+fc*detable[k]-t.f); } } } else force_coul = ecoul = 0.0; if (rsq < cut_bucksqi[typej]) { // buckingham - double rn = r2inv*r2inv*r2inv, - expr = exp(-r*rhoinvi[typej]); + double rn = r2inv*r2inv*r2inv; + double expr = exp(-r*rhoinvi[typej]); if (order6) { // long-range if (!ndisptablebits || rsq <= tabinnerdispsq) { double x2 = g2*rsq, a2 = 1.0/x2; diff --git a/src/lmppython.cpp b/src/lmppython.cpp index 209cfc1e31..742e912411 100644 --- a/src/lmppython.cpp +++ b/src/lmppython.cpp @@ -12,7 +12,7 @@ ------------------------------------------------------------------------- */ #include "lmppython.h" -#if LMP_PYTHON +#if defined(LMP_PYTHON) #include "python_impl.h" #else #include "error.h" @@ -46,7 +46,7 @@ PythonInterface::~PythonInterface() void Python::init() { -#if LMP_PYTHON +#if defined(LMP_PYTHON) if (!impl) impl = new PythonImpl(lmp); #else error->all(FLERR,"Python support missing! Compile with PYTHON package installed!"); @@ -55,7 +55,7 @@ void Python::init() /* ---------------------------------------------------------------------- */ bool Python::is_enabled() const { -#if LMP_PYTHON +#if defined(LMP_PYTHON) return true; #else return false; diff --git a/src/math_extra.cpp b/src/math_extra.cpp index df74ad5be2..59e66242b3 100644 --- a/src/math_extra.cpp +++ b/src/math_extra.cpp @@ -71,8 +71,8 @@ int mldivide3(const double m[3][3], const double *v, double *ans) } for (unsigned j = i+1; j < 3; j++) { - double m = aug[j][i]/aug[i][i]; - for (unsigned k=i+1; k<4; k++) aug[j][k]-=m*aug[i][k]; + double n = aug[j][i]/aug[i][i]; + for (unsigned k=i+1; k<4; k++) aug[j][k]-=n*aug[i][k]; } } diff --git a/src/neighbor.cpp b/src/neighbor.cpp index ee4226f43e..eb4e89e692 100644 --- a/src/neighbor.cpp +++ b/src/neighbor.cpp @@ -513,7 +513,7 @@ void Neighbor::init() // print_pairwise_info() made use of requests // set of NeighLists now stores all needed info - for (int i = 0; i < nrequest; i++) { + for (i = 0; i < nrequest; i++) { delete requests[i]; requests[i] = nullptr; } @@ -2079,7 +2079,7 @@ void Neighbor::build(int topoflag) if (style != Neighbor::NSQ) { if (last_setup_bins < 0) setup_bins(); - for (int i = 0; i < nbin; i++) { + for (i = 0; i < nbin; i++) { neigh_bin[i]->bin_atoms_setup(nall); neigh_bin[i]->bin_atoms(); } diff --git a/src/read_dump.cpp b/src/read_dump.cpp index ddb793c629..d30bec4d36 100644 --- a/src/read_dump.cpp +++ b/src/read_dump.cpp @@ -818,9 +818,9 @@ void ReadDump::process_atoms() int nlocal = atom->nlocal; memory->create(updateflag,nlocal,"read_dump:updateflag"); - for (int i = 0; i < nlocal; i++) updateflag[i] = 0; + for (i = 0; i < nlocal; i++) updateflag[i] = 0; memory->create(newflag,nnew,"read_dump:newflag"); - for (int i = 0; i < nnew; i++) newflag[i] = 1; + for (i = 0; i < nnew; i++) newflag[i] = 1; // loop over new atoms @@ -918,7 +918,7 @@ void ReadDump::process_atoms() if (trimflag) { AtomVec *avec = atom->avec; - int i = 0; + i = 0; while (i < nlocal) { if (!updateflag[i]) { avec->copy(nlocal-1,i,1); diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 2742dc5e4e..7d008b2518 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -339,7 +339,7 @@ void ReadRestart::command(int narg, char **arg) procfile, utils::getsyserror())); } - int flag,procsperfile; + int procsperfile; if (filereader) { utils::sfread(FLERR,&flag,sizeof(int),1,fp,nullptr,error); @@ -704,7 +704,7 @@ void ReadRestart::header() int procgrid[3]; read_int(); read_int_vec(3,procgrid); - int flag = 0; + flag = 0; if (comm->user_procgrid[0] != 0 && procgrid[0] != comm->user_procgrid[0]) flag = 1; if (comm->user_procgrid[1] != 0 && diff --git a/src/replicate.cpp b/src/replicate.cpp index 95bf615d04..12e3ad5cab 100644 --- a/src/replicate.cpp +++ b/src/replicate.cpp @@ -166,7 +166,7 @@ void Replicate::command(int narg, char **arg) atom->molecules = (Molecule **) memory->smalloc((old->nmolecule)*sizeof(Molecule *), "atom::molecules"); atom->nmolecule = old->nmolecule; - for (int i = 0; i < old->nmolecule; ++i) + for (i = 0; i < old->nmolecule; ++i) atom->molecules[i] = old->molecules[i]; memory->sfree(old->molecules); old->molecules = nullptr; diff --git a/src/text_file_reader.cpp b/src/text_file_reader.cpp index 7a6e914639..b0d5bef53e 100644 --- a/src/text_file_reader.cpp +++ b/src/text_file_reader.cpp @@ -100,7 +100,7 @@ char *TextFileReader::next_line(int nparams) { if (nwords > 0) n = strlen(line); while (nwords == 0 || nwords < nparams) { - char *ptr = fgets(&line[n], MAXLINE - n, fp); + ptr = fgets(&line[n], MAXLINE - n, fp); if (ptr == nullptr) { // EOF diff --git a/src/utils.cpp b/src/utils.cpp index e8f1c63606..0ff1d65633 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -1008,8 +1008,8 @@ std::string utils::get_potential_file_path(const std::string &path) { while (dirs.has_next()) { auto pot = utils::path_basename(filepath); - auto path = dirs.next(); - filepath = utils::path_join(path, pot); + auto dir = dirs.next(); + filepath = utils::path_join(dir, pot); if (utils::file_is_readable(filepath)) { return filepath; diff --git a/src/variable.cpp b/src/variable.cpp index 3e93a33797..dc9a2dbee5 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -1894,7 +1894,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) } else if (strncmp(word,"v_",2) == 0) { - int ivar = find(word+2); + ivar = find(word+2); if (ivar < 0) print_var_error(FLERR,fmt::format("Invalid variable reference " "{} in variable formula",word),ivar); @@ -2338,7 +2338,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) double Variable::collapse_tree(Tree *tree) { - double arg1,arg2; + double arg1,arg2,arg3; if (tree->type == VALUE) return tree->value; if (tree->type == ATOMARRAY) return 0.0; @@ -2805,19 +2805,19 @@ double Variable::collapse_tree(Tree *tree) error->one(FLERR,"Invalid math function in variable formula"); if (ivalue4 < ivalue1 || ivalue5 > ivalue2) error->one(FLERR,"Invalid math function in variable formula"); - bigint istep; + bigint istep, offset; if (update->ntimestep < ivalue1) istep = ivalue1; else if (update->ntimestep < ivalue2) { if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) { - bigint offset = update->ntimestep - ivalue1; + offset = update->ntimestep - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (update->ntimestep < ivalue2 && istep > ivalue4) tree->value = ivalue4; } else { - bigint offset = update->ntimestep - ivalue4; + offset = update->ntimestep - ivalue4; istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6; if (istep > ivalue5) { - bigint offset = ivalue5 - ivalue1; + offset = ivalue5 - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (istep > ivalue2) istep = MAXBIGINT; } @@ -2828,8 +2828,8 @@ double Variable::collapse_tree(Tree *tree) } if (tree->type == VDISPLACE) { - double arg1 = collapse_tree(tree->first); - double arg2 = collapse_tree(tree->second); + arg1 = collapse_tree(tree->first); + arg2 = collapse_tree(tree->second); if (tree->first->type != VALUE || tree->second->type != VALUE) return 0.0; tree->type = VALUE; double delta = update->ntimestep - update->beginstep; @@ -2838,9 +2838,9 @@ double Variable::collapse_tree(Tree *tree) } if (tree->type == SWIGGLE) { - double arg1 = collapse_tree(tree->first); - double arg2 = collapse_tree(tree->second); - double arg3 = collapse_tree(tree->extra[0]); + arg1 = collapse_tree(tree->first); + arg2 = collapse_tree(tree->second); + arg3 = collapse_tree(tree->extra[0]); if (tree->first->type != VALUE || tree->second->type != VALUE || tree->extra[0]->type != VALUE) return 0.0; tree->type = VALUE; @@ -2853,9 +2853,9 @@ double Variable::collapse_tree(Tree *tree) } if (tree->type == CWIGGLE) { - double arg1 = collapse_tree(tree->first); - double arg2 = collapse_tree(tree->second); - double arg3 = collapse_tree(tree->extra[0]); + arg1 = collapse_tree(tree->first); + arg2 = collapse_tree(tree->second); + arg3 = collapse_tree(tree->extra[0]); if (tree->first->type != VALUE || tree->second->type != VALUE || tree->extra[0]->type != VALUE) return 0.0; tree->type = VALUE; @@ -3134,19 +3134,19 @@ double Variable::eval_tree(Tree *tree, int i) error->one(FLERR,"Invalid math function in variable formula"); if (ivalue4 < ivalue1 || ivalue5 > ivalue2) error->one(FLERR,"Invalid math function in variable formula"); - bigint istep; + bigint istep, offset; if (update->ntimestep < ivalue1) istep = ivalue1; else if (update->ntimestep < ivalue2) { if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) { - bigint offset = update->ntimestep - ivalue1; + offset = update->ntimestep - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (update->ntimestep < ivalue2 && istep > ivalue4) tree->value = ivalue4; } else { - bigint offset = update->ntimestep - ivalue4; + offset = update->ntimestep - ivalue4; istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6; if (istep > ivalue5) { - bigint offset = ivalue5 - ivalue1; + offset = ivalue5 - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (istep > ivalue2) istep = MAXBIGINT; } @@ -3716,18 +3716,18 @@ int Variable::math_function(char *word, char *contents, Tree **tree, error->one(FLERR,"Invalid math function in variable formula"); if (ivalue4 < ivalue1 || ivalue5 > ivalue2) error->one(FLERR,"Invalid math function in variable formula"); - bigint istep; + bigint istep, offset; if (update->ntimestep < ivalue1) istep = ivalue1; else if (update->ntimestep < ivalue2) { if (update->ntimestep < ivalue4 || update->ntimestep > ivalue5) { - bigint offset = update->ntimestep - ivalue1; + offset = update->ntimestep - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (update->ntimestep < ivalue4 && istep > ivalue4) istep = ivalue4; } else { - bigint offset = update->ntimestep - ivalue4; + offset = update->ntimestep - ivalue4; istep = ivalue4 + (offset/ivalue6)*ivalue6 + ivalue6; if (istep > ivalue5) { - bigint offset = ivalue5 - ivalue1; + offset = ivalue5 - ivalue1; istep = ivalue1 + (offset/ivalue3)*ivalue3 + ivalue3; if (istep > ivalue2) istep = MAXBIGINT; } @@ -4107,9 +4107,9 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Compute *compute = nullptr; Fix *fix = nullptr; - int ivar = -1; int index,nvec,nstride; char *ptr1,*ptr2; + ivar = -1; // argument is compute @@ -4387,7 +4387,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, if (narg != 1) print_var_error(FLERR,"Invalid special function in variable formula",ivar); - int ivar = find(args[0]); + ivar = find(args[0]); if (ivar < 0) { std::string mesg = "Variable ID '"; mesg += args[0]; @@ -4399,7 +4399,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, // save value in tree or on argstack if (style[ivar] == SCALARFILE) { - double value = atof(data[ivar][0]); + value = atof(data[ivar][0]); int done = reader[ivar]->read_scalar(data[ivar][0]); if (done) remove(ivar); From 15ce976dbaf05de7e048e1dc7096ffbeb264e2ae Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:32:27 -0400 Subject: [PATCH 32/48] simplify --- src/velocity.cpp | 8 ++------ 1 file changed, 2 insertions(+), 6 deletions(-) diff --git a/src/velocity.cpp b/src/velocity.cpp index e0c80baa91..30d479b0eb 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -578,13 +578,9 @@ void Velocity::scale(int /*narg*/, char **arg) int tflag = 0; if (temperature == nullptr) { - char **arg = new char*[3]; - arg[0] = (char *) "velocity_temp"; - arg[1] = group->names[igroup]; - arg[2] = (char *) "temp"; - temperature = new ComputeTemp(lmp,3,arg); + modify->add_compute(fmt::format("velocity_temp {} temp")); + temperature = modify->compute[modify->ncompute-1]; tflag = 1; - delete [] arg; } // initialize temperature computation From 8ba1b59d8de62cde07e98e23359136e30d69d7c1 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Fri, 23 Apr 2021 16:34:12 -0400 Subject: [PATCH 33/48] Correct fprintf statement in debug code --- lib/gpu/geryon/nvd_kernel.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/lib/gpu/geryon/nvd_kernel.h b/lib/gpu/geryon/nvd_kernel.h index c31b8cdf9b..8d73192de6 100644 --- a/lib/gpu/geryon/nvd_kernel.h +++ b/lib/gpu/geryon/nvd_kernel.h @@ -115,7 +115,7 @@ class UCL_Program { fprintf(foutput," UCL Error: Error compiling PTX Program...\n"); fprintf(foutput, "----------------------------------------------------------\n"); - fprintf(foutput,"%s\n",log); + fprintf(foutput,"%s\n",log->c_str()); fprintf(foutput, "----------------------------------------------------------\n"); fprintf(foutput,"\n\n"); From 24314b2316e2f73252a205307a6a3313daa0ca20 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Fri, 23 Apr 2021 16:36:01 -0400 Subject: [PATCH 34/48] Formatting --- lib/gpu/geryon/nvd_kernel.h | 19 ++++++++----------- 1 file changed, 8 insertions(+), 11 deletions(-) diff --git a/lib/gpu/geryon/nvd_kernel.h b/lib/gpu/geryon/nvd_kernel.h index 8d73192de6..798b12e53c 100644 --- a/lib/gpu/geryon/nvd_kernel.h +++ b/lib/gpu/geryon/nvd_kernel.h @@ -108,17 +108,14 @@ class UCL_Program { std::cerr << log << std::endl << "----------------------------------------------------------\n\n"; #endif - if (foutput != NULL) { - fprintf(foutput,"\n\n"); - fprintf(foutput, - "----------------------------------------------------------\n"); - fprintf(foutput," UCL Error: Error compiling PTX Program...\n"); - fprintf(foutput, - "----------------------------------------------------------\n"); - fprintf(foutput,"%s\n",log->c_str()); - fprintf(foutput, - "----------------------------------------------------------\n"); - fprintf(foutput,"\n\n"); + if (foutput != nullptr) { + fprintf(foutput,"\n\n"); + fprintf(foutput, "----------------------------------------------------------\n"); + fprintf(foutput, " UCL Error: Error compiling PTX Program...\n"); + fprintf(foutput, "----------------------------------------------------------\n"); + fprintf(foutput, "%s\n",log->c_str()); + fprintf(foutput, "----------------------------------------------------------\n"); + fprintf(foutput,"\n\n"); } return UCL_COMPILE_ERROR; } From b7272bbbf7bdfae3004a096cad7d0e8e1330e300 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:32:39 -0400 Subject: [PATCH 35/48] restore variable declaration --- src/KSPACE/pair_buck_long_coul_long.cpp | 6 +++--- src/variable.cpp | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index fa5b624462..8e8cf21da6 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -548,10 +548,10 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag) r*expr*buck1i[typej]-g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq; if (eflag) evdwl = expr*buckai[typej]-g6*((a2+1.0)*a2+0.5)*x2; } else { // special case - double f = special_lj[ni], t = rn*(1.0-f); - force_buck = f*r*expr*buck1i[typej]- + double fc = special_lj[ni], t = rn*(1.0-fc); + force_buck = fc*r*expr*buck1i[typej]- g8*(((6.0*a2+6.0)*a2+3.0)*a2+1.0)*x2*rsq+t*buck2i[typej]; - if (eflag) evdwl = f*expr*buckai[typej] - + if (eflag) evdwl = fc*expr*buckai[typej] - g6*((a2+1.0)*a2+0.5)*x2+t*buckci[typej]; } } else { //table real space diff --git a/src/variable.cpp b/src/variable.cpp index dc9a2dbee5..9fe3fdcd12 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -1894,7 +1894,7 @@ double Variable::evaluate(char *str, Tree **tree, int ivar) } else if (strncmp(word,"v_",2) == 0) { - ivar = find(word+2); + int ivar = find(word+2); if (ivar < 0) print_var_error(FLERR,fmt::format("Invalid variable reference " "{} in variable formula",word),ivar); From f47333bebf1d95fdbe52044c65fe764e13687d60 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:38:54 -0400 Subject: [PATCH 36/48] Update MathJax to 3.1.4 hotfix version --- cmake/Modules/Documentation.cmake | 2 +- doc/Makefile | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/cmake/Modules/Documentation.cmake b/cmake/Modules/Documentation.cmake index b8f4c541e9..16dd5dd4fa 100644 --- a/cmake/Modules/Documentation.cmake +++ b/cmake/Modules/Documentation.cmake @@ -56,7 +56,7 @@ if(BUILD_DOC) ) set(MATHJAX_URL "https://github.com/mathjax/MathJax/archive/3.1.3.tar.gz" CACHE STRING "URL for MathJax tarball") - set(MATHJAX_MD5 "b81661c6e6ba06278e6ae37b30b0c492" CACHE STRING "MD5 checksum of MathJax tarball") + set(MATHJAX_MD5 "d1c98c746888bfd52ca8ebc10704f92f" CACHE STRING "MD5 checksum of MathJax tarball") mark_as_advanced(MATHJAX_URL) # download mathjax distribution and unpack to folder "mathjax" diff --git a/doc/Makefile b/doc/Makefile index a90b13e133..e49d42ca77 100644 --- a/doc/Makefile +++ b/doc/Makefile @@ -236,7 +236,7 @@ $(VENV): ) $(MATHJAX): - @git clone -b 3.1.3 -c advice.detachedHead=0 --depth 1 git://github.com/mathjax/MathJax.git $@ + @git clone -b 3.1.4 -c advice.detachedHead=0 --depth 1 git://github.com/mathjax/MathJax.git $@ $(TXT2RST) $(ANCHORCHECK): $(VENV) @( \ From 99fa6ed4b4fafa615cf85fba355288e62dd550c2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:50:35 -0400 Subject: [PATCH 37/48] delay part of the variable.cpp refactoring until we have better unit testing for it. --- src/KSPACE/pair_buck_long_coul_long.cpp | 20 ++++++++++---------- src/variable.cpp | 6 +++--- 2 files changed, 13 insertions(+), 13 deletions(-) diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 8e8cf21da6..ca5a9ab3c2 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -563,9 +563,9 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag) force_buck = r*expr*buck1i[typej]-(fdisptable[disp_k]+f_disp*dfdisptable[disp_k])*buckci[typej]; if (eflag) evdwl = expr*buckai[typej]-(edisptable[disp_k]+f_disp*dedisptable[disp_k])*buckci[typej]; } else { //special case - double f = special_lj[ni], t = rn*(1.0-f); - force_buck = f*r*expr*buck1i[typej] -(fdisptable[disp_k]+f_disp*dfdisptable[disp_k])*buckci[typej] +t*buck2i[typej]; - if (eflag) evdwl = f*expr*buckai[typej] -(edisptable[disp_k]+f_disp*dedisptable[disp_k])*buckci[typej]+t*buckci[typej]; + double fc = special_lj[ni], t = rn*(1.0-fc); + force_buck = fc*r*expr*buck1i[typej] -(fdisptable[disp_k]+f_disp*dfdisptable[disp_k])*buckci[typej] +t*buck2i[typej]; + if (eflag) evdwl = fc*expr*buckai[typej] -(edisptable[disp_k]+f_disp*dedisptable[disp_k])*buckci[typej]+t*buckci[typej]; } } } else { // cut @@ -574,10 +574,10 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag) if (eflag) evdwl = expr*buckai[typej] - rn*buckci[typej]-offseti[typej]; } else { // special case - double f = special_lj[ni]; - force_buck = f*(r*expr*buck1i[typej]-rn*buck2i[typej]); + double fc = special_lj[ni]; + force_buck = fc*(r*expr*buck1i[typej]-rn*buck2i[typej]); if (eflag) - evdwl = f*(expr*buckai[typej]-rn*buckci[typej]-offseti[typej]); + evdwl = fc*(expr*buckai[typej]-rn*buckci[typej]-offseti[typej]); } } } @@ -586,10 +586,10 @@ void PairBuckLongCoulLong::compute(int eflag, int vflag) fpair = (force_coul+force_buck)*r2inv; if (newton_pair || j < nlocal) { - double *fj = f0+(j+(j<<1)), f; - fi[0] += f = d[0]*fpair; fj[0] -= f; - fi[1] += f = d[1]*fpair; fj[1] -= f; - fi[2] += f = d[2]*fpair; fj[2] -= f; + double *fj = f0+(j+(j<<1)), fp; + fi[0] += fp = d[0]*fpair; fj[0] -= fp; + fi[1] += fp = d[1]*fpair; fj[1] -= fp; + fi[2] += fp = d[2]*fpair; fj[2] -= fp; } else { fi[0] += d[0]*fpair; diff --git a/src/variable.cpp b/src/variable.cpp index 9fe3fdcd12..ac225230cf 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -4109,7 +4109,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, Fix *fix = nullptr; int index,nvec,nstride; char *ptr1,*ptr2; - ivar = -1; + int ivar = -1; // argument is compute @@ -4387,7 +4387,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, if (narg != 1) print_var_error(FLERR,"Invalid special function in variable formula",ivar); - ivar = find(args[0]); + int ivar = find(args[0]); if (ivar < 0) { std::string mesg = "Variable ID '"; mesg += args[0]; @@ -4399,7 +4399,7 @@ int Variable::special_function(char *word, char *contents, Tree **tree, // save value in tree or on argstack if (style[ivar] == SCALARFILE) { - value = atof(data[ivar][0]); + double value = atof(data[ivar][0]); int done = reader[ivar]->read_scalar(data[ivar][0]); if (done) remove(ivar); From 917cd1b924f9f3044a099387b728b27e5de89700 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 16:57:39 -0400 Subject: [PATCH 38/48] silence more compiler warnings --- src/KSPACE/pair_born_coul_msm.cpp | 2 +- src/compute_coord_atom.cpp | 2 +- src/compute_gyration_chunk.cpp | 2 +- src/compute_inertia_chunk.cpp | 6 +++--- src/compute_omega_chunk.cpp | 6 +++--- src/compute_orientorder_atom.cpp | 2 +- src/compute_temp_chunk.cpp | 6 +++--- src/compute_temp_profile.cpp | 2 +- src/compute_torque_chunk.cpp | 6 +++--- src/irregular.cpp | 1 - 10 files changed, 17 insertions(+), 18 deletions(-) diff --git a/src/KSPACE/pair_born_coul_msm.cpp b/src/KSPACE/pair_born_coul_msm.cpp index c22e0e2ac6..a33e9d245b 100644 --- a/src/KSPACE/pair_born_coul_msm.cpp +++ b/src/KSPACE/pair_born_coul_msm.cpp @@ -195,7 +195,7 @@ void PairBornCoulMSM::compute(int eflag, int vflag) if (force->kspace->scalar_pressure_flag && vflag) { for (i = 0; i < 3; i++) virial[i] += force->pair->eng_coul/3.0; - for (int i = 0; i < nmax; i++) { + for (i = 0; i < nmax; i++) { f[i][0] += ftmp[i][0]; f[i][1] += ftmp[i][1]; f[i][2] += ftmp[i][2]; diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 1c56466b36..aba22e3f60 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -305,7 +305,7 @@ void ComputeCoordAtom::compute_peratom() rsq = delx*delx + dely*dely + delz*delz; if (rsq < cutsq) { double dot_product = 0.0; - for (int m=0; m < 2*(2*l+1); m++) { + for (m=0; m < 2*(2*l+1); m++) { dot_product += normv[i][nqlist+m]*normv[j][nqlist+m]; } if (dot_product > threshold) n++; diff --git a/src/compute_gyration_chunk.cpp b/src/compute_gyration_chunk.cpp index c2db9fa855..bedc815c34 100644 --- a/src/compute_gyration_chunk.cpp +++ b/src/compute_gyration_chunk.cpp @@ -139,7 +139,7 @@ void ComputeGyrationChunk::compute_vector() MPI_Allreduce(rg,rgall,nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) + for (i = 0; i < nchunk; i++) if (masstotal[i] > 0.0) rgall[i] = sqrt(rgall[i]/masstotal[i]); } diff --git a/src/compute_inertia_chunk.cpp b/src/compute_inertia_chunk.cpp index 9e0084acfb..095a573e54 100644 --- a/src/compute_inertia_chunk.cpp +++ b/src/compute_inertia_chunk.cpp @@ -101,7 +101,7 @@ void ComputeInertiaChunk::compute_array() // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { massproc[i] = 0.0; com[i][0] = com[i][1] = com[i][2] = 0.0; for (j = 0; j < 6; j++) inertia[i][j] = 0.0; @@ -117,7 +117,7 @@ void ComputeInertiaChunk::compute_array() double *rmass = atom->rmass; int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { index = ichunk[i]-1; if (index < 0) continue; @@ -133,7 +133,7 @@ void ComputeInertiaChunk::compute_array() MPI_Allreduce(massproc,masstotal,nchunk,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&com[0][0],&comall[0][0],3*nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { if (masstotal[i] > 0.0) { comall[i][0] /= masstotal[i]; comall[i][1] /= masstotal[i]; diff --git a/src/compute_omega_chunk.cpp b/src/compute_omega_chunk.cpp index da3b482341..9b81d1f19e 100644 --- a/src/compute_omega_chunk.cpp +++ b/src/compute_omega_chunk.cpp @@ -108,7 +108,7 @@ void ComputeOmegaChunk::compute_array() // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { massproc[i] = 0.0; com[i][0] = com[i][1] = com[i][2] = 0.0; for (j = 0; j < 6; j++) inertia[i][j] = 0.0; @@ -126,7 +126,7 @@ void ComputeOmegaChunk::compute_array() double *rmass = atom->rmass; int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { index = ichunk[i]-1; if (index < 0) continue; @@ -142,7 +142,7 @@ void ComputeOmegaChunk::compute_array() MPI_Allreduce(massproc,masstotal,nchunk,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&com[0][0],&comall[0][0],3*nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { if (masstotal[i] > 0.0) { comall[i][0] /= masstotal[i]; comall[i][1] /= masstotal[i]; diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp index 8a836a97b8..98b8b7cb80 100644 --- a/src/compute_orientorder_atom.cpp +++ b/src/compute_orientorder_atom.cpp @@ -308,7 +308,7 @@ void ComputeOrientOrderAtom::compute_peratom() // if not nnn neighbors, order parameter = 0; if ((ncount == 0) || (ncount < nnn)) { - for (int jj = 0; jj < ncol; jj++) + for (jj = 0; jj < ncol; jj++) qn[jj] = 0.0; continue; } diff --git a/src/compute_temp_chunk.cpp b/src/compute_temp_chunk.cpp index 31f955fcb5..4ae0cc37c8 100644 --- a/src/compute_temp_chunk.cpp +++ b/src/compute_temp_chunk.cpp @@ -438,7 +438,7 @@ void ComputeTempChunk::vcm_compute() int *ichunk = cchunk->ichunk; - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { vcm[i][0] = vcm[i][1] = vcm[i][2] = 0.0; massproc[i] = 0.0; } @@ -487,7 +487,7 @@ void ComputeTempChunk::temperature(int icol) // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { count[i] = 0; sum[i] = 0.0; } @@ -560,7 +560,7 @@ void ComputeTempChunk::temperature(int icol) double mvv2e = force->mvv2e; double boltz = force->boltz; - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { dof = cdof + adof*countall[i]; if (dof > 0.0) tfactor = mvv2e / (dof * boltz); else tfactor = 0.0; diff --git a/src/compute_temp_profile.cpp b/src/compute_temp_profile.cpp index 6938560359..11fe72440f 100644 --- a/src/compute_temp_profile.cpp +++ b/src/compute_temp_profile.cpp @@ -313,7 +313,7 @@ void ComputeTempProfile::compute_array() for (i = 0; i < nbins; i++) tbin[i] = 0.0; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { ibin = bin[i]; if (xflag) vthermal[0] = v[i][0] - binave[ibin][ivx]; diff --git a/src/compute_torque_chunk.cpp b/src/compute_torque_chunk.cpp index 9aea024114..158bf178e8 100644 --- a/src/compute_torque_chunk.cpp +++ b/src/compute_torque_chunk.cpp @@ -100,7 +100,7 @@ void ComputeTorqueChunk::compute_array() // zero local per-chunk values - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { massproc[i] = 0.0; com[i][0] = com[i][1] = com[i][2] = 0.0; torque[i][0] = torque[i][1] = torque[i][2] = 0.0; @@ -116,7 +116,7 @@ void ComputeTorqueChunk::compute_array() double *rmass = atom->rmass; int nlocal = atom->nlocal; - for (int i = 0; i < nlocal; i++) + for (i = 0; i < nlocal; i++) if (mask[i] & groupbit) { index = ichunk[i]-1; if (index < 0) continue; @@ -132,7 +132,7 @@ void ComputeTorqueChunk::compute_array() MPI_Allreduce(massproc,masstotal,nchunk,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(&com[0][0],&comall[0][0],3*nchunk,MPI_DOUBLE,MPI_SUM,world); - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { if (masstotal[i] > 0.0) { comall[i][0] /= masstotal[i]; comall[i][1] /= masstotal[i]; diff --git a/src/irregular.cpp b/src/irregular.cpp index c1c4ff44fb..072209af09 100644 --- a/src/irregular.cpp +++ b/src/irregular.cpp @@ -891,7 +891,6 @@ int Irregular::create_data_grouped(int n, int *procs, int sortflag) utils::merge_sort(order,nrecv_proc,(void *)proc_recv,compare_standalone); #endif - int j; for (i = 0; i < nrecv_proc; i++) { j = order[i]; proc_recv_ordered[i] = proc_recv[j]; From 8a49bf3a31c8b632787f1981b0c852df07c268e0 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 18:07:24 -0400 Subject: [PATCH 39/48] fix missing argument bug in velocity code and simplify a second case --- src/dump_custom.cpp | 12 ++++-------- src/velocity.cpp | 18 +++++++----------- 2 files changed, 11 insertions(+), 19 deletions(-) diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 40b3e6fc28..2e752d7f31 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -316,33 +316,29 @@ void DumpCustom::init_style() // find current ptr for each compute,fix,variable // check that fix frequency is acceptable - int icompute; for (i = 0; i < ncompute; i++) { - icompute = modify->find_compute(id_compute[i]); + int icompute = modify->find_compute(id_compute[i]); if (icompute < 0) error->all(FLERR,"Could not find dump custom compute ID"); compute[i] = modify->compute[icompute]; } - int ifix; for (i = 0; i < nfix; i++) { - ifix = modify->find_fix(id_fix[i]); + int ifix = modify->find_fix(id_fix[i]); if (ifix < 0) error->all(FLERR,"Could not find dump custom fix ID"); fix[i] = modify->fix[ifix]; if (nevery % modify->fix[ifix]->peratom_freq) error->all(FLERR,"Dump custom and fix not computed at compatible times"); } - int ivariable; for (i = 0; i < nvariable; i++) { - ivariable = input->variable->find(id_variable[i]); + int ivariable = input->variable->find(id_variable[i]); if (ivariable < 0) error->all(FLERR,"Could not find dump custom variable name"); variable[i] = ivariable; } - int icustom; for (i = 0; i < ncustom; i++) { - icustom = atom->find_custom(id_custom[i],flag_custom[i]); + int icustom = atom->find_custom(id_custom[i],flag_custom[i]); if (icustom < 0) error->all(FLERR,"Could not find custom per-atom property ID"); } diff --git a/src/velocity.cpp b/src/velocity.cpp index 30d479b0eb..44d1556676 100644 --- a/src/velocity.cpp +++ b/src/velocity.cpp @@ -186,15 +186,11 @@ void Velocity::create(double t_desired, int seed) Compute *temperature_nobias = nullptr; if (temperature == nullptr || bias_flag) { - char **arg = new char*[3]; - arg[0] = (char *) "velocity_temp"; - arg[1] = group->names[igroup]; - arg[2] = (char *) "temp"; + modify->add_compute(fmt::format("velocity_temp {} temp",group->names[igroup])); if (temperature == nullptr) { - temperature = new ComputeTemp(lmp,3,arg); + temperature = modify->compute[modify->ncompute-1]; tcreate_flag = 1; - } else temperature_nobias = new ComputeTemp(lmp,3,arg); - delete [] arg; + } else temperature_nobias = modify->compute[modify->ncompute-1]; } // initialize temperature computation(s) @@ -401,8 +397,8 @@ void Velocity::create(double t_desired, int seed) // if temperature compute was created, delete it delete random; - if (tcreate_flag) delete temperature; - if (temperature_nobias) delete temperature_nobias; + if (tcreate_flag) modify->delete_compute("velocity_temp"); + if (temperature_nobias) modify->delete_compute("velocity_temp"); } /* ---------------------------------------------------------------------- */ @@ -578,7 +574,7 @@ void Velocity::scale(int /*narg*/, char **arg) int tflag = 0; if (temperature == nullptr) { - modify->add_compute(fmt::format("velocity_temp {} temp")); + modify->add_compute(fmt::format("velocity_temp {} temp",group->names[igroup])); temperature = modify->compute[modify->ncompute-1]; tflag = 1; } @@ -608,7 +604,7 @@ void Velocity::scale(int /*narg*/, char **arg) // if temperature was created, delete it - if (tflag) delete temperature; + if (tflag) modify->delete_compute("velocity_temp"); } /* ---------------------------------------------------------------------- From ed926812dc81bf880fff93a6a530b98e72cfe0a8 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 18:47:57 -0400 Subject: [PATCH 40/48] simplify --- src/dump_local.cpp | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/src/dump_local.cpp b/src/dump_local.cpp index a354c6fbba..66f9bdb150 100644 --- a/src/dump_local.cpp +++ b/src/dump_local.cpp @@ -197,16 +197,14 @@ void DumpLocal::init_style() // find current ptr for each compute,fix,variable // check that fix frequency is acceptable - int icompute; for (i = 0; i < ncompute; i++) { - icompute = modify->find_compute(id_compute[i]); + int icompute = modify->find_compute(id_compute[i]); if (icompute < 0) error->all(FLERR,"Could not find dump local compute ID"); compute[i] = modify->compute[icompute]; } - int ifix; for (i = 0; i < nfix; i++) { - ifix = modify->find_fix(id_fix[i]); + int ifix = modify->find_fix(id_fix[i]); if (ifix < 0) error->all(FLERR,"Could not find dump local fix ID"); fix[i] = modify->fix[ifix]; if (nevery % modify->fix[ifix]->local_freq) From 9cdd926763ed176c6508246040604d762f4747f1 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 23 Apr 2021 19:19:41 -0400 Subject: [PATCH 41/48] remove excess quotes --- unittest/CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/unittest/CMakeLists.txt b/unittest/CMakeLists.txt index 412cf8d3d6..addc8bc244 100644 --- a/unittest/CMakeLists.txt +++ b/unittest/CMakeLists.txt @@ -7,7 +7,7 @@ add_test(NAME RunLammps COMMAND $ -log none -echo none -in in.empty WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}) set_tests_properties(RunLammps PROPERTIES - ENVIRONMENT "TSAN_OPTIONS='ignore_noninstrumented_modules=1'" + ENVIRONMENT "TSAN_OPTIONS=ignore_noninstrumented_modules=1" PASS_REGULAR_EXPRESSION "^LAMMPS \\([0-9]+ [A-Za-z]+ 2[0-9][0-9][0-9]\\)") if(BUILD_MPI) From e4c7c23843a098b714aef38a9ffb6b75905f7a64 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 11:09:09 -0400 Subject: [PATCH 42/48] move sanitizer and iwyu configuration to Testing module and update iwyu this changes the iwyu configuration so that it will check for using GNU or Clang only as supported compilers, enforces the necessary recording of compilation commands in a json file and tweaks the "iwyu" target to work around an issue with the current iwyu implementation by placing the "native" runtime of the chosen compiler first --- cmake/CMakeLists.txt | 63 -------------------------------- cmake/Modules/Testing.cmake | 73 +++++++++++++++++++++++++++++++++++++ 2 files changed, 73 insertions(+), 63 deletions(-) diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 7f99b04cd6..dd4c3bcaba 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -245,69 +245,6 @@ if(BUILD_OMP) target_link_libraries(lammps PRIVATE OpenMP::OpenMP_CXX) endif() -# Compiler specific features for testing -if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") - option(ENABLE_COVERAGE "Enable collecting code coverage data" OFF) - mark_as_advanced(ENABLE_COVERAGE) - if(ENABLE_COVERAGE) - if(CMAKE_VERSION VERSION_LESS 3.13) - if(CMAKE_CXX_FLAGS) - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} --coverage") - else() - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} --coverage") - endif() - else() - target_compile_options(lammps PUBLIC --coverage) - target_link_options(lammps PUBLIC --coverage) - endif() - endif() -endif() - -####################################### -# add custom target for IWYU analysis -####################################### -set(ENABLE_IWYU OFF CACHE BOOL "Add 'iwyu' build target to call the include-what-you-use tool") -mark_as_advanced(ENABLE_IWYU) -if(ENABLE_IWYU) - set(CMAKE_EXPORT_COMPILE_COMMANDS ON) - find_program(IWYU_EXE NAMES include-what-you-use iwyu) - find_program(IWYU_TOOL NAMES iwyu_tool iwyu-tool iwyu_tool.py) - if (IWYU_EXE AND IWYU_TOOL) - add_custom_target( - iwyu - ${IWYU_TOOL} -o clang -p ${CMAKE_CURRENT_BINARY_DIR} -- -Xiwyu --mapping_file=${CMAKE_CURRENT_SOURCE_DIR}/iwyu/iwyu-extra-map.imp - COMMENT "Running IWYU") - add_dependencies(iwyu lammps) - else() - message(FATAL_ERROR "To use IWYU you need the include-what-you-use/iwyu executable" - "and the iwyu-tool/iwyu_tool script installed in your PATH") - endif() -endif() - -set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, leak, thread, undefined)") -mark_as_advanced(ENABLE_SANITIZER) -set(ENABLE_SANITIZER_VALUES none address leak thread undefined) -set_property(CACHE ENABLE_SANITIZER PROPERTY STRINGS ${ENABLE_SANITIZER_VALUES}) -validate_option(ENABLE_SANITIZER ENABLE_SANITIZER_VALUES) -string(TOLOWER ${ENABLE_SANITIZER} ENABLE_SANITIZER) -if(NOT ENABLE_SANITIZER STREQUAL "none") - if((${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") OR (${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang")) - if(CMAKE_VERSION VERSION_LESS 3.13) - if(CMAKE_CXX_FLAGS) - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=${ENABLE_SANITIZER}") - else() - set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} -fsanitize=${ENABLE_SANITIZER}") - endif() - else() - target_compile_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) - target_link_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) - endif() - else() - message(WARNING "ENABLE_SANITIZER option not supported by ${CMAKE_CXX_COMPILER_ID} compilers. Ignoring.") - set(ENABLE_SANITIZER "none") - endif() -endif() - if(PKG_MSCG OR PKG_USER-ATC OR PKG_USER-AWPMD OR PKG_USER-QUIP OR PKG_LATTE) enable_language(C) find_package(LAPACK) diff --git a/cmake/Modules/Testing.cmake b/cmake/Modules/Testing.cmake index 7fbd8212de..d1fa97a7a8 100644 --- a/cmake/Modules/Testing.cmake +++ b/cmake/Modules/Testing.cmake @@ -56,3 +56,76 @@ if(ENABLE_TESTING) get_filename_component(LAMMPS_UNITTEST_BIN ${CMAKE_BINARY_DIR}/unittest ABSOLUTE) add_subdirectory(${LAMMPS_UNITTEST_DIR} ${LAMMPS_UNITTEST_BIN}) endif() + +# Compiler specific features for testing +if(${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") + option(ENABLE_COVERAGE "Enable collecting code coverage data" OFF) + mark_as_advanced(ENABLE_COVERAGE) + if(ENABLE_COVERAGE) + if(CMAKE_VERSION VERSION_LESS 3.13) + if(CMAKE_CXX_FLAGS) + set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} --coverage") + else() + set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} --coverage") + endif() + else() + target_compile_options(lammps PUBLIC --coverage) + target_link_options(lammps PUBLIC --coverage) + endif() + endif() +endif() + +####################################### +# add custom target for IWYU analysis +####################################### +set(ENABLE_IWYU OFF CACHE BOOL "Add 'iwyu' build target to call the include-what-you-use tool") +mark_as_advanced(ENABLE_IWYU) +if(ENABLE_IWYU) + # enforce these settings + set(CMAKE_EXPORT_COMPILE_COMMANDS ON CACHE BOOL "Enable reporting compilation commands to compile_commands.json" FORCE) + if (NOT ((CMAKE_CXX_COMPILER_ID STREQUAL "Clang") OR (CMAKE_CXX_COMPILER_ID STREQUAL "GNU"))) + message(FATAL_ERROR "IWYU is only supported with Clang or GNU compilers") + endif() + # detect the "native" header folder so we can include them first + execute_process(COMMAND ${CMAKE_CXX_COMPILER} --print-search-dirs OUTPUT_VARIABLE IWYU_SEARCH_PATHS) + string(REGEX REPLACE ".*libraries: *=([^:]+):.*" "\\1/include" IWYU_EXTRA_INCLUDE_DIR ${IWYU_SEARCH_PATHS}) + find_program(IWYU_EXE NAMES include-what-you-use iwyu) + find_program(IWYU_TOOL NAMES iwyu_tool iwyu-tool iwyu_tool.py) + if (IWYU_EXE AND IWYU_TOOL) + add_custom_target( + iwyu + ${IWYU_TOOL} -o clang -p ${CMAKE_CURRENT_BINARY_DIR} -- -I${IWYU_EXTRA_INCLUDE_DIR} -Xiwyu --mapping_file=${CMAKE_CURRENT_SOURCE_DIR}/iwyu/iwyu-extra-map.imp + COMMENT "Running IWYU") + add_dependencies(iwyu lammps) + else() + message(FATAL_ERROR "To use IWYU you need the include-what-you-use/iwyu executable" + "and the iwyu-tool/iwyu_tool script installed in your PATH") + endif() +endif() + +####################################### +# select code sanitizer options +####################################### +set(ENABLE_SANITIZER "none" CACHE STRING "Select a code sanitizer option (none (default), address, leak, thread, undefined)") +mark_as_advanced(ENABLE_SANITIZER) +set(ENABLE_SANITIZER_VALUES none address leak thread undefined) +set_property(CACHE ENABLE_SANITIZER PROPERTY STRINGS ${ENABLE_SANITIZER_VALUES}) +validate_option(ENABLE_SANITIZER ENABLE_SANITIZER_VALUES) +string(TOLOWER ${ENABLE_SANITIZER} ENABLE_SANITIZER) +if(NOT ENABLE_SANITIZER STREQUAL "none") + if((${CMAKE_CXX_COMPILER_ID} STREQUAL "GNU") OR (${CMAKE_CXX_COMPILER_ID} STREQUAL "Clang")) + if(CMAKE_VERSION VERSION_LESS 3.13) + if(CMAKE_CXX_FLAGS) + set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -fsanitize=${ENABLE_SANITIZER}") + else() + set(CMAKE_CXX_FLAGS "${CMAKE_CXX_${CMAKE_BUILD_TYPE}_FLAGS} -fsanitize=${ENABLE_SANITIZER}") + endif() + else() + target_compile_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) + target_link_options(lammps PUBLIC -fsanitize=${ENABLE_SANITIZER}) + endif() + else() + message(WARNING "ENABLE_SANITIZER option not supported by ${CMAKE_CXX_COMPILER_ID} compilers. Ignoring.") + set(ENABLE_SANITIZER "none") + endif() +endif() From 4738337e470980dbbf5ccd61d396a95425ec5cac Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 13:22:39 -0400 Subject: [PATCH 43/48] update/trim list of include files according to the IWYU principle --- src/BODY/fix_nph_body.cpp | 3 -- src/BODY/fix_npt_body.cpp | 3 -- src/BODY/fix_nvt_body.cpp | 2 -- src/BODY/fix_wall_body_polygon.cpp | 10 ++++--- src/BODY/pair_body_nparticle.cpp | 15 +++++----- src/COLLOID/pair_yukawa_colloid.cpp | 11 +++---- src/COMPRESS/gz_file_writer.h | 5 ++-- src/COMPRESS/zstd_file_writer.h | 4 +-- src/GPU/pair_born_coul_long_cs_gpu.cpp | 25 ++++++---------- src/GPU/pair_born_coul_long_gpu.cpp | 25 ++++++---------- src/GPU/pair_born_coul_wolf_cs_gpu.cpp | 23 +++++--------- src/GPU/pair_born_coul_wolf_gpu.cpp | 23 +++++--------- src/GPU/pair_born_gpu.cpp | 21 +++++-------- src/GPU/pair_buck_coul_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_buck_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_buck_gpu.cpp | 21 +++++-------- src/GPU/pair_colloid_gpu.cpp | 22 +++++--------- src/GPU/pair_coul_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_coul_debye_gpu.cpp | 21 +++++-------- src/GPU/pair_coul_dsf_gpu.cpp | 21 +++++-------- src/GPU/pair_coul_long_cs_gpu.cpp | 23 +++++--------- src/GPU/pair_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_dpd_gpu.cpp | 23 +++++--------- src/GPU/pair_dpd_tstat_gpu.cpp | 23 +++++--------- src/GPU/pair_eam_alloy_gpu.cpp | 24 +++++++-------- src/GPU/pair_eam_fs_gpu.cpp | 26 ++++++++-------- src/GPU/pair_eam_gpu.cpp | 14 ++++----- src/GPU/pair_gauss_gpu.cpp | 21 +++++-------- src/GPU/pair_gayberne_gpu.cpp | 24 ++++++--------- src/GPU/pair_lj96_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp | 25 +++++++--------- src/GPU/pair_lj_charmm_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_class2_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_class2_gpu.cpp | 6 ---- src/GPU/pair_lj_cubic_gpu.cpp | 7 ----- src/GPU/pair_lj_cut_coul_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_cut_coul_debye_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_cut_coul_dsf_gpu.cpp | 20 +++++-------- src/GPU/pair_lj_cut_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_cut_coul_msm_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_cut_dipole_cut_gpu.cpp | 23 ++++++-------- src/GPU/pair_lj_cut_dipole_long_gpu.cpp | 27 +++++++---------- src/GPU/pair_lj_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_cut_tip4p_long_gpu.cpp | 30 ++++++++----------- src/GPU/pair_lj_expand_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_expand_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_gromacs_gpu.cpp | 22 +++++--------- src/GPU/pair_lj_sdk_coul_long_gpu.cpp | 23 +++++--------- src/GPU/pair_lj_sdk_gpu.cpp | 21 +++++-------- src/GPU/pair_lj_sf_dipole_sf_gpu.cpp | 23 ++++++-------- src/GPU/pair_mie_cut_gpu.cpp | 21 +++++-------- src/GPU/pair_morse_gpu.cpp | 21 +++++-------- src/GPU/pair_resquared_gpu.cpp | 24 ++++++--------- src/GPU/pair_soft_gpu.cpp | 21 +++++-------- src/GPU/pair_sw_gpu.cpp | 17 ++++------- src/GPU/pair_table_gpu.cpp | 25 +++++----------- src/GPU/pair_tersoff_gpu.cpp | 15 ++++------ src/GPU/pair_tersoff_mod_gpu.cpp | 17 ++++------- src/GPU/pair_tersoff_zbl_gpu.cpp | 17 ++++------- src/GPU/pair_ufm_gpu.cpp | 21 +++++-------- src/GPU/pair_vashishta_gpu.cpp | 17 ++++------- src/GPU/pair_yukawa_colloid_gpu.cpp | 21 +++++-------- src/GPU/pair_yukawa_gpu.cpp | 21 +++++-------- src/GPU/pair_zbl_gpu.cpp | 22 +++++--------- src/KSPACE/fft3d.cpp | 7 +++-- src/KSPACE/msm_cg.cpp | 8 ++--- src/KSPACE/remap.cpp | 3 +- src/MANYBODY/pair_eam_he.cpp | 4 +-- src/MANYBODY/pair_eim.h | 1 + src/MANYBODY/pair_vashishta_table.cpp | 3 +- src/MC/fix_charge_regulation.cpp | 3 -- src/MC/fix_tfmc.cpp | 15 +++++----- src/MISC/fix_orient_bcc.cpp | 1 - src/MISC/fix_orient_fcc.cpp | 1 - src/MLIAP/pair_mliap.cpp | 1 - src/MOLECULE/dihedral_charmm.cpp | 13 ++++---- src/MOLECULE/dihedral_charmmfsw.cpp | 13 ++++---- src/QEQ/fix_qeq_point.cpp | 1 - src/QEQ/fix_qeq_shielded.cpp | 1 - src/RIGID/fix_rigid_nh_small.cpp | 1 - src/SNAP/pair_snap.cpp | 1 - src/SPIN/fix_langevin_spin.cpp | 9 +++--- src/SPIN/fix_neb_spin.cpp | 1 - src/SPIN/pair_spin.cpp | 9 +++--- src/USER-COLVARS/ndx_group.cpp | 3 -- src/USER-DRUDE/fix_tgnh_drude.cpp | 1 - src/USER-DRUDE/fix_tgnvt_drude.cpp | 2 -- src/USER-EFF/compute_temp_region_eff.cpp | 2 -- src/USER-EFF/fix_nve_eff.cpp | 11 ++++--- src/USER-EFF/fix_nvt_eff.cpp | 2 -- src/USER-MEAMC/pair_meamc.cpp | 15 +++++----- src/USER-MEAMC/pair_meamc.h | 2 +- src/USER-MESODPD/atom_vec_edpd.cpp | 1 - src/USER-MESODPD/pair_edpd.cpp | 30 +++++++++---------- src/USER-MISC/angle_gaussian.cpp | 9 +++--- src/USER-MISC/compute_gyration_shape.cpp | 1 - .../compute_gyration_shape_chunk.cpp | 1 - src/USER-MISC/compute_pressure_grem.cpp | 2 -- src/USER-MISC/dihedral_table_cut.cpp | 1 - src/USER-MISC/fix_addtorque.cpp | 2 -- src/USER-MISC/fix_electron_stopping_fit.cpp | 5 ---- src/USER-MISC/fix_nvk.cpp | 10 +++---- src/USER-MISC/fix_orient_eco.cpp | 1 - src/USER-MISC/fix_rhok.cpp | 1 - src/USER-MISC/fix_wall_region_ees.cpp | 1 - src/USER-MISC/pair_wf_cut.cpp | 2 -- src/USER-OMP/fix_nvt_asphere_omp.cpp | 4 +-- src/USER-OMP/fix_nvt_omp.cpp | 2 -- src/USER-OMP/fix_qeq_comb_omp.cpp | 8 ++--- src/USER-OMP/npair_full_bin_atomonly_omp.cpp | 11 +++---- .../npair_half_bin_atomonly_newton_omp.cpp | 10 ++++--- .../npair_half_size_bin_newtoff_omp.cpp | 11 +++---- .../npair_half_size_bin_newton_omp.cpp | 11 +++---- .../npair_half_size_bin_newton_tri_omp.cpp | 11 +++---- .../npair_half_size_multi_newtoff_omp.cpp | 11 +++---- .../npair_half_size_multi_newton_omp.cpp | 11 +++---- .../npair_half_size_multi_newton_tri_omp.cpp | 11 +++---- .../npair_half_size_nsq_newtoff_omp.cpp | 11 +++---- .../npair_half_size_nsq_newton_omp.cpp | 11 +++---- src/USER-OMP/npair_halffull_newtoff_omp.cpp | 11 +++---- src/USER-OMP/npair_halffull_newton_omp.cpp | 11 +++---- src/USER-OMP/pair_tersoff_mod_c_omp.cpp | 2 ++ src/USER-OMP/pair_tersoff_mod_omp.cpp | 4 +-- src/USER-OMP/pair_tersoff_omp.cpp | 4 +-- src/USER-OMP/pair_tersoff_zbl_omp.cpp | 9 +++--- src/USER-OMP/pair_vashishta_omp.cpp | 2 -- src/USER-PACE/pair_pace.cpp | 1 - src/USER-PTM/ptm_constants.cpp | 1 - src/USER-SMD/fix_smd_wall_surface.cpp | 1 - src/atom.cpp | 1 + src/atom_vec.h | 1 + tools/lammps-shell/lammps-shell.cpp | 9 +++--- 132 files changed, 618 insertions(+), 1011 deletions(-) diff --git a/src/BODY/fix_nph_body.cpp b/src/BODY/fix_nph_body.cpp index a876ac9dc7..ca3923d278 100644 --- a/src/BODY/fix_nph_body.cpp +++ b/src/BODY/fix_nph_body.cpp @@ -18,11 +18,8 @@ #include "fix_nph_body.h" #include "error.h" -#include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/fix_npt_body.cpp b/src/BODY/fix_npt_body.cpp index bc669fc971..3aacfe7f65 100644 --- a/src/BODY/fix_npt_body.cpp +++ b/src/BODY/fix_npt_body.cpp @@ -18,11 +18,8 @@ #include "fix_npt_body.h" #include "error.h" -#include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/fix_nvt_body.cpp b/src/BODY/fix_nvt_body.cpp index 442aed2c94..6209e1db2f 100644 --- a/src/BODY/fix_nvt_body.cpp +++ b/src/BODY/fix_nvt_body.cpp @@ -21,8 +21,6 @@ #include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/fix_wall_body_polygon.cpp b/src/BODY/fix_wall_body_polygon.cpp index 027c0dbd5a..25e3afb31d 100644 --- a/src/BODY/fix_wall_body_polygon.cpp +++ b/src/BODY/fix_wall_body_polygon.cpp @@ -16,18 +16,20 @@ ------------------------------------------------------------------------- */ #include "fix_wall_body_polygon.h" -#include -#include + #include "atom.h" #include "atom_vec_body.h" #include "body_rounded_polygon.h" #include "domain.h" -#include "update.h" +#include "error.h" #include "force.h" #include "math_const.h" #include "math_extra.h" #include "memory.h" -#include "error.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/BODY/pair_body_nparticle.cpp b/src/BODY/pair_body_nparticle.cpp index 3ec0e4bbe6..68321f3b70 100644 --- a/src/BODY/pair_body_nparticle.cpp +++ b/src/BODY/pair_body_nparticle.cpp @@ -12,18 +12,19 @@ ------------------------------------------------------------------------- */ #include "pair_body_nparticle.h" -#include -#include -#include "math_extra.h" + #include "atom.h" #include "atom_vec_body.h" #include "body_nparticle.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" #include "error.h" +#include "force.h" +#include "math_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neighbor.h" +#include +#include using namespace LAMMPS_NS; diff --git a/src/COLLOID/pair_yukawa_colloid.cpp b/src/COLLOID/pair_yukawa_colloid.cpp index 36074a1a21..5b1a4e4e83 100644 --- a/src/COLLOID/pair_yukawa_colloid.cpp +++ b/src/COLLOID/pair_yukawa_colloid.cpp @@ -16,13 +16,14 @@ ------------------------------------------------------------------------- */ #include "pair_yukawa_colloid.h" -#include + #include "atom.h" -#include "atom_vec.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" #include "error.h" +#include "force.h" +#include "neigh_list.h" +#include "neighbor.h" + +#include using namespace LAMMPS_NS; diff --git a/src/COMPRESS/gz_file_writer.h b/src/COMPRESS/gz_file_writer.h index af91572d8e..669931399b 100644 --- a/src/COMPRESS/gz_file_writer.h +++ b/src/COMPRESS/gz_file_writer.h @@ -19,9 +19,10 @@ #define LMP_GZ_FILE_WRITER_H #include "file_writer.h" + +#include #include #include -#include namespace LAMMPS_NS { @@ -40,8 +41,6 @@ public: void setCompressionLevel(int level); }; - - } #endif diff --git a/src/COMPRESS/zstd_file_writer.h b/src/COMPRESS/zstd_file_writer.h index 8980666856..030a01690a 100644 --- a/src/COMPRESS/zstd_file_writer.h +++ b/src/COMPRESS/zstd_file_writer.h @@ -21,9 +21,9 @@ #define LMP_ZSTD_FILE_WRITER_H #include "file_writer.h" + #include #include -#include namespace LAMMPS_NS { @@ -47,8 +47,6 @@ public: void setCompressionLevel(int level); void setChecksum(bool enabled); }; - - } #endif diff --git a/src/GPU/pair_born_coul_long_cs_gpu.cpp b/src/GPU/pair_born_coul_long_cs_gpu.cpp index 95c3df7b09..5782ff5969 100644 --- a/src/GPU/pair_born_coul_long_cs_gpu.cpp +++ b/src/GPU/pair_born_coul_long_cs_gpu.cpp @@ -16,28 +16,21 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_long_cs_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "math_const.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp index dbd55ef041..5b27e96cbd 100644 --- a/src/GPU/pair_born_coul_long_gpu.cpp +++ b/src/GPU/pair_born_coul_long_gpu.cpp @@ -16,28 +16,21 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "math_const.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp index 9663c4be51..0c3e36265f 100644 --- a/src/GPU/pair_born_coul_wolf_cs_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_cs_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_wolf_cs_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "math_const.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp index 8db3761f1f..1cd91e2d61 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_born_coul_wolf_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "math_const.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp index 3454adda18..f7d383b528 100644 --- a/src/GPU/pair_born_gpu.cpp +++ b/src/GPU/pair_born_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_born_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp index ec002289f2..fe3e8f092c 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.cpp +++ b/src/GPU/pair_buck_coul_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_buck_coul_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp index 913f68f4c4..0c23141060 100644 --- a/src/GPU/pair_buck_coul_long_gpu.cpp +++ b/src/GPU/pair_buck_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_buck_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp index 4f091eede5..81bd987850 100644 --- a/src/GPU/pair_buck_gpu.cpp +++ b/src/GPU/pair_buck_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_buck_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp index 070b103ddf..d5391aeede 100644 --- a/src/GPU/pair_colloid_gpu.cpp +++ b/src/GPU/pair_colloid_gpu.cpp @@ -16,26 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_colloid_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp index fc4a44adc4..ef9b2dff4d 100644 --- a/src/GPU/pair_coul_cut_gpu.cpp +++ b/src/GPU/pair_coul_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_coul_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp index 1104175046..ca5cb7df9a 100644 --- a/src/GPU/pair_coul_debye_gpu.cpp +++ b/src/GPU/pair_coul_debye_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_coul_debye_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp index 85cd978f33..d988a47681 100644 --- a/src/GPU/pair_coul_dsf_gpu.cpp +++ b/src/GPU/pair_coul_dsf_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_coul_dsf_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define MY_PIS 1.77245385090551602729 #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 diff --git a/src/GPU/pair_coul_long_cs_gpu.cpp b/src/GPU/pair_coul_long_cs_gpu.cpp index 84b6a665db..f924f2c925 100644 --- a/src/GPU/pair_coul_long_cs_gpu.cpp +++ b/src/GPU/pair_coul_long_cs_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_coul_long_cs_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; #define EWALD_F 1.12837917 diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp index d27b4650ba..e1d51b1359 100644 --- a/src/GPU/pair_coul_long_gpu.cpp +++ b/src/GPU/pair_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp index 884834d94a..f66fc6d594 100644 --- a/src/GPU/pair_dpd_gpu.cpp +++ b/src/GPU/pair_dpd_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "random_mars.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp index 507461fd23..957bb938f3 100644 --- a/src/GPU/pair_dpd_tstat_gpu.cpp +++ b/src/GPU/pair_dpd_tstat_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_dpd_tstat_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "random_mars.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include "update.h" + +#include using namespace LAMMPS_NS; diff --git a/src/GPU/pair_eam_alloy_gpu.cpp b/src/GPU/pair_eam_alloy_gpu.cpp index add3a3ca7a..fe2cc92450 100644 --- a/src/GPU/pair_eam_alloy_gpu.cpp +++ b/src/GPU/pair_eam_alloy_gpu.cpp @@ -16,23 +16,23 @@ ------------------------------------------------------------------------- */ #include "pair_eam_alloy_gpu.h" -#include -#include #include "atom.h" -#include "force.h" #include "comm.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "gpu_extra.h" #include "domain.h" - +#include "error.h" +#include "force.h" +#include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" +#include "potential_file_reader.h" #include "suffix.h" #include "tokenizer.h" -#include "potential_file_reader.h" + +#include +#include using namespace LAMMPS_NS; @@ -389,7 +389,7 @@ void PairEAMAlloyGPU::read_file(char *filename) ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); - if (values.count() != file->nelements + 1) + if ((int)values.count() != file->nelements + 1) error->one(FLERR,"Incorrect element names in EAM potential file"); file->elements = new char*[file->nelements]; diff --git a/src/GPU/pair_eam_fs_gpu.cpp b/src/GPU/pair_eam_fs_gpu.cpp index 394b520a73..b92e348ddf 100644 --- a/src/GPU/pair_eam_fs_gpu.cpp +++ b/src/GPU/pair_eam_fs_gpu.cpp @@ -16,23 +16,23 @@ ------------------------------------------------------------------------- */ #include "pair_eam_fs_gpu.h" -#include -#include #include "atom.h" -#include "force.h" #include "comm.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "gpu_extra.h" #include "domain.h" -#include "suffix.h" - -#include "tokenizer.h" +#include "error.h" +#include "force.h" +#include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "potential_file_reader.h" +#include "suffix.h" +#include "tokenizer.h" + +#include +#include using namespace LAMMPS_NS; @@ -388,7 +388,7 @@ void PairEAMFSGPU::read_file(char *filename) ValueTokenizer values = reader.next_values(1); file->nelements = values.next_int(); - if (values.count() != file->nelements + 1) + if ((int)values.count() != file->nelements + 1) error->one(FLERR,"Incorrect element names in EAM potential file"); file->elements = new char*[file->nelements]; diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index fada4febb5..2ed72a3b08 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -16,22 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_eam_gpu.h" -#include -#include -#include #include "atom.h" -#include "force.h" #include "comm.h" #include "domain.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" #include "error.h" -#include "neigh_request.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define MAXLINE 1024 using namespace LAMMPS_NS; diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp index 04fc65dd06..8431ce1b67 100644 --- a/src/GPU/pair_gauss_gpu.cpp +++ b/src/GPU/pair_gauss_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_gauss_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp index c5e0a1afb5..d7adb5c657 100644 --- a/src/GPU/pair_gayberne_gpu.cpp +++ b/src/GPU/pair_gayberne_gpu.cpp @@ -16,28 +16,22 @@ ------------------------------------------------------------------------- */ #include "pair_gayberne_gpu.h" -#include -#include -#include -#include "math_extra.h" #include "atom.h" -#include "atom_vec.h" #include "atom_vec_ellipsoid.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" #include "domain.h" -#include "update.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "math_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp index 33774078d5..016147cb6e 100644 --- a/src/GPU/pair_lj96_cut_gpu.cpp +++ b/src/GPU/pair_lj96_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj96_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp b/src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp index 4d8d67cdca..a40da25da8 100644 --- a/src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_charmm_gpu.cpp @@ -15,23 +15,18 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#include -#include -#include -#include #include "pair_lj_charmm_coul_charmm_gpu.h" + #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" + +#include using namespace LAMMPS_NS; @@ -205,8 +200,8 @@ double PairLJCharmmCoulCharmmGPU::memory_usage() /* ---------------------------------------------------------------------- */ void PairLJCharmmCoulCharmmGPU::cpu_compute(int start, int inum, int eflag, - int vflag, int *ilist, - int *numneigh, int **firstneigh) + int /* vflag */, int *ilist, + int *numneigh, int **firstneigh) { int i,j,ii,jj,jnum,itype,jtype; double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,evdwl,ecoul,fpair; diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp index 42e869207e..1fc8ba1c5f 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_charmm_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp index ae5321bc4f..87dda4f190 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_class2_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp index e32561ab59..4e224cb2d3 100644 --- a/src/GPU/pair_lj_class2_gpu.cpp +++ b/src/GPU/pair_lj_class2_gpu.cpp @@ -18,20 +18,14 @@ #include "pair_lj_class2_gpu.h" #include "atom.h" -#include "atom_vec.h" -#include "comm.h" #include "domain.h" #include "error.h" #include "force.h" #include "gpu_extra.h" -#include "integrate.h" -#include "memory.h" #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" #include "suffix.h" -#include "universe.h" -#include "update.h" #include diff --git a/src/GPU/pair_lj_cubic_gpu.cpp b/src/GPU/pair_lj_cubic_gpu.cpp index 73839bdbed..1c9b9a0820 100644 --- a/src/GPU/pair_lj_cubic_gpu.cpp +++ b/src/GPU/pair_lj_cubic_gpu.cpp @@ -18,23 +18,16 @@ #include "pair_lj_cubic_gpu.h" #include "atom.h" -#include "atom_vec.h" -#include "comm.h" #include "domain.h" #include "error.h" #include "force.h" #include "gpu_extra.h" -#include "integrate.h" -#include "memory.h" #include "neigh_list.h" #include "neigh_request.h" #include "neighbor.h" #include "suffix.h" -#include "universe.h" -#include "update.h" #include -#include #include "pair_lj_cubic_const.h" diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp index 1583395f82..0a1076aef8 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp index d83678bd9f..75a16ae210 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_debye_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp index 3a29d7e5a2..e3500ce60d 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp @@ -17,25 +17,19 @@ #include "pair_lj_cut_coul_dsf_gpu.h" #include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define MY_PIS 1.77245385090551602729 #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp index 34e31fc044..3ac52c08c5 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp index 2fd1d55b54..f92c83bcf7 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_coul_msm_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp index 93af562ed0..b15822bde9 100644 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp @@ -16,25 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_dipole_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp index 9ec2bec258..d9d38d4cb0 100644 --- a/src/GPU/pair_lj_cut_dipole_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_long_gpu.cpp @@ -16,27 +16,22 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_dipole_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "kspace.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "math_const.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include "update.h" + +#include +#include #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp index 1de70701f0..65fed01321 100644 --- a/src/GPU/pair_lj_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp index c63d1a4e91..67dcd6d0b6 100644 --- a/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_tip4p_long_gpu.cpp @@ -15,30 +15,24 @@ Contributing author: Vsevolod Nikolskiy (HSE) ------------------------------------------------------------------------- */ -#include -#include - -#include #include "pair_lj_cut_tip4p_long_gpu.h" -#include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" -#include "domain.h" -#include "kspace.h" + #include "angle.h" +#include "atom.h" #include "bond.h" +#include "comm.h" +#include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_expand_coul_long_gpu.cpp b/src/GPU/pair_lj_expand_coul_long_gpu.cpp index af042bef42..d5a23507ae 100644 --- a/src/GPU/pair_lj_expand_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_expand_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_expand_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp index 87605af1a4..234173651d 100644 --- a/src/GPU/pair_lj_expand_gpu.cpp +++ b/src/GPU/pair_lj_expand_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_expand_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp index b45d757ef4..df5d6aee89 100644 --- a/src/GPU/pair_lj_gromacs_gpu.cpp +++ b/src/GPU/pair_lj_gromacs_gpu.cpp @@ -16,27 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_gromacs_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index 97b53fec33..5b7cb1fa67 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sdk_coul_long_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" -#include "kspace.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "kspace.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + #define EWALD_F 1.12837917 #define EWALD_P 0.3275911 #define A1 0.254829592 diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index cd6f4bc544..1cfacfde83 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sdk_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp index cb7a889ed5..033c0c1d62 100644 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp @@ -16,25 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_lj_sf_dipole_sf_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include "update.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp index e72c12da79..f2cfbc2637 100644 --- a/src/GPU/pair_mie_cut_gpu.cpp +++ b/src/GPU/pair_mie_cut_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_mie_cut_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp index 507edd33f4..024346afb2 100644 --- a/src/GPU/pair_morse_gpu.cpp +++ b/src/GPU/pair_morse_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_morse_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp index 90a7af1d0e..18817bf551 100644 --- a/src/GPU/pair_resquared_gpu.cpp +++ b/src/GPU/pair_resquared_gpu.cpp @@ -16,28 +16,22 @@ ------------------------------------------------------------------------- */ #include "pair_resquared_gpu.h" -#include -#include -#include -#include "math_extra.h" #include "atom.h" -#include "atom_vec.h" #include "atom_vec_ellipsoid.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" #include "domain.h" -#include "update.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "math_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp index 66bd6deb8f..0c963e947c 100644 --- a/src/GPU/pair_soft_gpu.cpp +++ b/src/GPU/pair_soft_gpu.cpp @@ -16,27 +16,20 @@ ------------------------------------------------------------------------- */ #include "pair_soft_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" #include "math_const.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp index b819580488..1603704b9b 100644 --- a/src/GPU/pair_sw_gpu.cpp +++ b/src/GPU/pair_sw_gpu.cpp @@ -16,22 +16,17 @@ ------------------------------------------------------------------------- */ #include "pair_sw_gpu.h" -#include -#include -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" -#include "memory.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp index 6c5bb48e26..fb1a130398 100644 --- a/src/GPU/pair_table_gpu.cpp +++ b/src/GPU/pair_table_gpu.cpp @@ -16,30 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_table_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" -#define LOOKUP 0 -#define LINEAR 1 -#define SPLINE 2 -#define BITMAP 3 +#include using namespace LAMMPS_NS; diff --git a/src/GPU/pair_tersoff_gpu.cpp b/src/GPU/pair_tersoff_gpu.cpp index c2f3413d3d..55576de4ec 100644 --- a/src/GPU/pair_tersoff_gpu.cpp +++ b/src/GPU/pair_tersoff_gpu.cpp @@ -16,22 +16,17 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_gpu.h" -#include -#include -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" +#include "domain.h" +#include "error.h" +#include "force.h" +#include "gpu_extra.h" #include "memory.h" #include "neighbor.h" #include "neigh_list.h" -#include "memory.h" -#include "error.h" -#include "domain.h" -#include "gpu_extra.h" +#include "neigh_request.h" #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_tersoff_mod_gpu.cpp b/src/GPU/pair_tersoff_mod_gpu.cpp index 6a5e9892ec..5d79a68af4 100644 --- a/src/GPU/pair_tersoff_mod_gpu.cpp +++ b/src/GPU/pair_tersoff_mod_gpu.cpp @@ -16,22 +16,17 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_mod_gpu.h" -#include -#include -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" -#include "memory.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_tersoff_zbl_gpu.cpp b/src/GPU/pair_tersoff_zbl_gpu.cpp index 0c56212fef..9594845fd0 100644 --- a/src/GPU/pair_tersoff_zbl_gpu.cpp +++ b/src/GPU/pair_tersoff_zbl_gpu.cpp @@ -16,22 +16,17 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_zbl_gpu.h" -#include -#include -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" -#include "memory.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_ufm_gpu.cpp b/src/GPU/pair_ufm_gpu.cpp index 47a32f7fc2..cdf53d6cc6 100644 --- a/src/GPU/pair_ufm_gpu.cpp +++ b/src/GPU/pair_ufm_gpu.cpp @@ -18,26 +18,19 @@ ------------------------------------------------------------------------- */ #include "pair_ufm_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_vashishta_gpu.cpp b/src/GPU/pair_vashishta_gpu.cpp index b3c703952f..4c47b66b4a 100644 --- a/src/GPU/pair_vashishta_gpu.cpp +++ b/src/GPU/pair_vashishta_gpu.cpp @@ -16,22 +16,17 @@ ------------------------------------------------------------------------- */ #include "pair_vashishta_gpu.h" -#include -#include -#include #include "atom.h" -#include "neighbor.h" -#include "neigh_request.h" -#include "force.h" #include "comm.h" -#include "memory.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "memory.h" -#include "error.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "memory.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" using namespace LAMMPS_NS; diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp index 3ac5f6c693..4e4e555134 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.cpp +++ b/src/GPU/pair_yukawa_colloid_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_yukawa_colloid_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp index 8558b57cd8..104adef8d5 100644 --- a/src/GPU/pair_yukawa_gpu.cpp +++ b/src/GPU/pair_yukawa_gpu.cpp @@ -16,26 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_yukawa_gpu.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/GPU/pair_zbl_gpu.cpp b/src/GPU/pair_zbl_gpu.cpp index 97a859a5bf..267b9252bd 100644 --- a/src/GPU/pair_zbl_gpu.cpp +++ b/src/GPU/pair_zbl_gpu.cpp @@ -16,27 +16,19 @@ ------------------------------------------------------------------------- */ #include "pair_zbl_gpu.h" -#include "lmptype.h" -#include -#include -#include #include "atom.h" -#include "atom_vec.h" -#include "comm.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "integrate.h" -#include "memory.h" -#include "error.h" -#include "neigh_request.h" -#include "universe.h" -#include "update.h" #include "domain.h" +#include "error.h" +#include "force.h" #include "gpu_extra.h" +#include "neigh_list.h" +#include "neigh_request.h" +#include "neighbor.h" #include "suffix.h" +#include + using namespace LAMMPS_NS; // External functions from cuda library for atom decomposition diff --git a/src/KSPACE/fft3d.cpp b/src/KSPACE/fft3d.cpp index 6a05be4e6f..a21bbb0999 100644 --- a/src/KSPACE/fft3d.cpp +++ b/src/KSPACE/fft3d.cpp @@ -20,11 +20,12 @@ ------------------------------------------------------------------------- */ #include "fft3d.h" -#include -#include + +#include "remap.h" + #include #include -#include "remap.h" + #if defined(_OPENMP) #include #endif diff --git a/src/KSPACE/msm_cg.cpp b/src/KSPACE/msm_cg.cpp index 6123aedfb8..d61db8db96 100644 --- a/src/KSPACE/msm_cg.cpp +++ b/src/KSPACE/msm_cg.cpp @@ -16,9 +16,7 @@ ------------------------------------------------------------------------- */ #include "msm_cg.h" -#include -#include -#include + #include "atom.h" #include "gridcomm.h" #include "domain.h" @@ -26,7 +24,9 @@ #include "force.h" #include "neighbor.h" #include "memory.h" -#include "fmt/format.h" + +#include +#include using namespace LAMMPS_NS; diff --git a/src/KSPACE/remap.cpp b/src/KSPACE/remap.cpp index ab2ec687d7..c99bbb2562 100644 --- a/src/KSPACE/remap.cpp +++ b/src/KSPACE/remap.cpp @@ -12,8 +12,7 @@ ------------------------------------------------------------------------- */ #include "remap.h" -#include -#include + #include #define PACK_DATA FFT_SCALAR diff --git a/src/MANYBODY/pair_eam_he.cpp b/src/MANYBODY/pair_eam_he.cpp index 0018429862..b0c4b7c205 100644 --- a/src/MANYBODY/pair_eam_he.cpp +++ b/src/MANYBODY/pair_eam_he.cpp @@ -19,13 +19,13 @@ #include "atom.h" #include "comm.h" -#include "error.h" #include "force.h" #include "memory.h" -#include "neighbor.h" #include "neigh_list.h" #include "update.h" +#include + using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/MANYBODY/pair_eim.h b/src/MANYBODY/pair_eim.h index 52b94192c2..a68dcc2198 100644 --- a/src/MANYBODY/pair_eim.h +++ b/src/MANYBODY/pair_eim.h @@ -23,6 +23,7 @@ PairStyle(eim,PairEIM) #include "pair.h" #include +#include namespace LAMMPS_NS { diff --git a/src/MANYBODY/pair_vashishta_table.cpp b/src/MANYBODY/pair_vashishta_table.cpp index 14dacdae3f..05d9703443 100644 --- a/src/MANYBODY/pair_vashishta_table.cpp +++ b/src/MANYBODY/pair_vashishta_table.cpp @@ -16,11 +16,10 @@ ------------------------------------------------------------------------- */ #include "pair_vashishta_table.h" -#include + #include "atom.h" #include "error.h" #include "force.h" -#include "comm.h" #include "memory.h" #include "neigh_list.h" diff --git a/src/MC/fix_charge_regulation.cpp b/src/MC/fix_charge_regulation.cpp index e369ab95e1..6226dd5ba5 100644 --- a/src/MC/fix_charge_regulation.cpp +++ b/src/MC/fix_charge_regulation.cpp @@ -32,15 +32,12 @@ #include "improper.h" #include "kspace.h" #include "math_const.h" -#include "math_extra.h" #include "math_special.h" #include "memory.h" #include "modify.h" -#include "molecule.h" #include "neighbor.h" #include "pair.h" #include "random_park.h" -#include "region.h" #include "update.h" #include diff --git a/src/MC/fix_tfmc.cpp b/src/MC/fix_tfmc.cpp index 4d481e7d68..ff49d84f6b 100644 --- a/src/MC/fix_tfmc.cpp +++ b/src/MC/fix_tfmc.cpp @@ -17,18 +17,19 @@ #include "fix_tfmc.h" -#include -#include -#include #include "atom.h" -#include "force.h" -#include "group.h" -#include "random_mars.h" #include "comm.h" #include "domain.h" +#include "error.h" +#include "force.h" +#include "group.h" #include "memory.h" #include "modify.h" -#include "error.h" +#include "random_mars.h" + +#include +#include +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_orient_bcc.cpp b/src/MISC/fix_orient_bcc.cpp index 520940f2f0..d78a6bcb95 100644 --- a/src/MISC/fix_orient_bcc.cpp +++ b/src/MISC/fix_orient_bcc.cpp @@ -33,7 +33,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index c94e91a0b5..559a56000e 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -30,7 +30,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/MLIAP/pair_mliap.cpp b/src/MLIAP/pair_mliap.cpp index 85374e9214..ab081f8462 100644 --- a/src/MLIAP/pair_mliap.cpp +++ b/src/MLIAP/pair_mliap.cpp @@ -35,7 +35,6 @@ #include #include -#include "error.h" using namespace LAMMPS_NS; diff --git a/src/MOLECULE/dihedral_charmm.cpp b/src/MOLECULE/dihedral_charmm.cpp index d56c875744..f8322fd9a1 100644 --- a/src/MOLECULE/dihedral_charmm.cpp +++ b/src/MOLECULE/dihedral_charmm.cpp @@ -17,19 +17,18 @@ #include "dihedral_charmm.h" -#include -#include #include "atom.h" #include "comm.h" -#include "neighbor.h" +#include "error.h" #include "force.h" -#include "pair.h" -#include "update.h" -#include "respa.h" #include "math_const.h" #include "memory.h" -#include "error.h" +#include "neighbor.h" +#include "pair.h" +#include "respa.h" +#include "update.h" +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/MOLECULE/dihedral_charmmfsw.cpp b/src/MOLECULE/dihedral_charmmfsw.cpp index 09372f67ac..15e3aedc80 100644 --- a/src/MOLECULE/dihedral_charmmfsw.cpp +++ b/src/MOLECULE/dihedral_charmmfsw.cpp @@ -20,19 +20,18 @@ #include "dihedral_charmmfsw.h" -#include -#include #include "atom.h" #include "comm.h" -#include "neighbor.h" +#include "error.h" #include "force.h" -#include "pair.h" -#include "update.h" -#include "respa.h" #include "math_const.h" #include "memory.h" -#include "error.h" +#include "neighbor.h" +#include "pair.h" +#include "respa.h" +#include "update.h" +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index ac31f906e0..38deee696e 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -31,7 +31,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index ad6202abd8..7d8cfdb90d 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -32,7 +32,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 242c33eb3a..0f1e813234 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -31,7 +31,6 @@ #include "math_extra.h" #include "memory.h" #include "modify.h" -#include "molecule.h" #include "rigid_const.h" #include "update.h" diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index ae0023ddec..64dc5ee9c6 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -25,7 +25,6 @@ #include "tokenizer.h" #include -#include using namespace LAMMPS_NS; diff --git a/src/SPIN/fix_langevin_spin.cpp b/src/SPIN/fix_langevin_spin.cpp index 5c040da0f5..ae9d637180 100644 --- a/src/SPIN/fix_langevin_spin.cpp +++ b/src/SPIN/fix_langevin_spin.cpp @@ -22,21 +22,20 @@ ------------------------------------------------------------------------- */ #include "fix_langevin_spin.h" -#include -#include + #include "atom.h" #include "comm.h" #include "error.h" #include "force.h" -#include "group.h" #include "math_const.h" -#include "memory.h" #include "modify.h" -// #include "random_park.h" #include "random_mars.h" #include "respa.h" #include "update.h" +#include +#include + using namespace LAMMPS_NS; using namespace FixConst; using namespace MathConst; diff --git a/src/SPIN/fix_neb_spin.cpp b/src/SPIN/fix_neb_spin.cpp index 620d0a47bd..7bef18e9e7 100644 --- a/src/SPIN/fix_neb_spin.cpp +++ b/src/SPIN/fix_neb_spin.cpp @@ -27,7 +27,6 @@ #include "comm.h" #include "compute.h" #include "error.h" -#include "force.h" #include "group.h" #include "memory.h" #include "modify.h" diff --git a/src/SPIN/pair_spin.cpp b/src/SPIN/pair_spin.cpp index c57feb8390..815ed2d290 100644 --- a/src/SPIN/pair_spin.cpp +++ b/src/SPIN/pair_spin.cpp @@ -22,20 +22,21 @@ ------------------------------------------------------------------------- */ #include "pair_spin.h" -#include + #include "atom.h" #include "comm.h" #include "error.h" -#include "fix.h" +#include "fix_nve_spin.h" #include "force.h" #include "math_const.h" #include "memory.h" #include "modify.h" -#include "neighbor.h" #include "neigh_request.h" +#include "neighbor.h" #include "pair.h" #include "update.h" -#include "fix_nve_spin.h" + +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-COLVARS/ndx_group.cpp b/src/USER-COLVARS/ndx_group.cpp index d8d5632b06..647cb1e125 100644 --- a/src/USER-COLVARS/ndx_group.cpp +++ b/src/USER-COLVARS/ndx_group.cpp @@ -22,11 +22,8 @@ #include "comm.h" #include "error.h" #include "group.h" -#include "memory.h" #include "tokenizer.h" -#include - using namespace LAMMPS_NS; #define BUFLEN 4096 #define DELTA 16384 diff --git a/src/USER-DRUDE/fix_tgnh_drude.cpp b/src/USER-DRUDE/fix_tgnh_drude.cpp index d8bf1d76f9..3cde93f1b5 100644 --- a/src/USER-DRUDE/fix_tgnh_drude.cpp +++ b/src/USER-DRUDE/fix_tgnh_drude.cpp @@ -24,7 +24,6 @@ #include "error.h" #include "fix_deform.h" #include "force.h" -#include "group.h" #include "irregular.h" #include "kspace.h" #include "memory.h" diff --git a/src/USER-DRUDE/fix_tgnvt_drude.cpp b/src/USER-DRUDE/fix_tgnvt_drude.cpp index 2339a6f9a7..ab566058d4 100644 --- a/src/USER-DRUDE/fix_tgnvt_drude.cpp +++ b/src/USER-DRUDE/fix_tgnvt_drude.cpp @@ -17,8 +17,6 @@ #include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-EFF/compute_temp_region_eff.cpp b/src/USER-EFF/compute_temp_region_eff.cpp index ca13aac06b..50ebf8abbe 100644 --- a/src/USER-EFF/compute_temp_region_eff.cpp +++ b/src/USER-EFF/compute_temp_region_eff.cpp @@ -27,8 +27,6 @@ #include "region.h" #include "update.h" -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ diff --git a/src/USER-EFF/fix_nve_eff.cpp b/src/USER-EFF/fix_nve_eff.cpp index bfdd85df49..436f6f56da 100644 --- a/src/USER-EFF/fix_nve_eff.cpp +++ b/src/USER-EFF/fix_nve_eff.cpp @@ -15,15 +15,14 @@ Contributing author: Andres Jaramillo-Botero (Caltech) ------------------------------------------------------------------------- */ -#include - #include "fix_nve_eff.h" + #include "atom.h" -#include "force.h" -#include "update.h" -#include "respa.h" -#include "error.h" #include "domain.h" +#include "error.h" +#include "force.h" +#include "respa.h" +#include "update.h" using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-EFF/fix_nvt_eff.cpp b/src/USER-EFF/fix_nvt_eff.cpp index f5358b5db1..1748530fba 100644 --- a/src/USER-EFF/fix_nvt_eff.cpp +++ b/src/USER-EFF/fix_nvt_eff.cpp @@ -17,8 +17,6 @@ #include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MEAMC/pair_meamc.cpp b/src/USER-MEAMC/pair_meamc.cpp index 67ab3522ad..f8cb2a3d91 100644 --- a/src/USER-MEAMC/pair_meamc.cpp +++ b/src/USER-MEAMC/pair_meamc.cpp @@ -17,20 +17,21 @@ #include "pair_meamc.h" -#include - -#include "meam.h" #include "atom.h" -#include "force.h" #include "comm.h" -#include "neighbor.h" +#include "error.h" +#include "force.h" +#include "meam.h" +#include "memory.h" #include "neigh_list.h" #include "neigh_request.h" -#include "memory.h" -#include "error.h" +#include "neighbor.h" #include "potential_file_reader.h" #include "tokenizer.h" +#include +#include + using namespace LAMMPS_NS; #define MAXLINE 1024 diff --git a/src/USER-MEAMC/pair_meamc.h b/src/USER-MEAMC/pair_meamc.h index de07d813b4..7672612c19 100644 --- a/src/USER-MEAMC/pair_meamc.h +++ b/src/USER-MEAMC/pair_meamc.h @@ -22,8 +22,8 @@ PairStyle(meam,PairMEAMC) #define LMP_PAIR_MEAMC_H #include "pair.h" + #include -#include namespace LAMMPS_NS { diff --git a/src/USER-MESODPD/atom_vec_edpd.cpp b/src/USER-MESODPD/atom_vec_edpd.cpp index ddeabd54db..4880b1303c 100644 --- a/src/USER-MESODPD/atom_vec_edpd.cpp +++ b/src/USER-MESODPD/atom_vec_edpd.cpp @@ -15,7 +15,6 @@ #include "atom.h" #include "error.h" -#include "modify.h" #include "update.h" #include diff --git a/src/USER-MESODPD/pair_edpd.cpp b/src/USER-MESODPD/pair_edpd.cpp index 04307429b4..147e5c322f 100644 --- a/src/USER-MESODPD/pair_edpd.cpp +++ b/src/USER-MESODPD/pair_edpd.cpp @@ -18,20 +18,20 @@ #include "pair_edpd.h" +#include "atom.h" +#include "citeme.h" +#include "comm.h" +#include "error.h" +#include "force.h" +#include "memory.h" +#include "neigh_list.h" +#include "neighbor.h" +#include "random_mars.h" +#include "update.h" + #include #include #include -#include "atom.h" -#include "comm.h" -#include "update.h" -#include "force.h" -#include "neighbor.h" -#include "neigh_list.h" -#include "random_mars.h" -#include "citeme.h" -#include "memory.h" -#include "error.h" - using namespace LAMMPS_NS; @@ -275,11 +275,9 @@ void PairEDPD::settings(int narg, char **arg) // initialize Marsaglia RNG with processor-unique seed - if (seed <= 0) { - struct timespec time; - clock_gettime( CLOCK_REALTIME, &time ); - seed = time.tv_nsec; // if seed is non-positive, get the current time as the seed - } + if (seed <= 0) + error->all(FLERR,"Invalid random number seed"); + delete random; random = new RanMars(lmp,(seed + comm->me) % 900000000); randomT = new RanMars(lmp,(2*seed + comm->me) % 900000000); diff --git a/src/USER-MISC/angle_gaussian.cpp b/src/USER-MISC/angle_gaussian.cpp index 639d753afa..b8bd68bd02 100644 --- a/src/USER-MISC/angle_gaussian.cpp +++ b/src/USER-MISC/angle_gaussian.cpp @@ -13,16 +13,17 @@ #include "angle_gaussian.h" -#include #include "atom.h" -#include "neighbor.h" -#include "domain.h" #include "comm.h" +#include "domain.h" +#include "error.h" #include "force.h" #include "math_const.h" #include "memory.h" -#include "error.h" +#include "neighbor.h" +#include +#include using namespace LAMMPS_NS; using namespace MathConst; diff --git a/src/USER-MISC/compute_gyration_shape.cpp b/src/USER-MISC/compute_gyration_shape.cpp index ac073d4cbc..12ccd84533 100644 --- a/src/USER-MISC/compute_gyration_shape.cpp +++ b/src/USER-MISC/compute_gyration_shape.cpp @@ -19,7 +19,6 @@ #include "error.h" #include "math_eigen.h" -#include "math_extra.h" #include "math_special.h" #include "modify.h" #include "update.h" diff --git a/src/USER-MISC/compute_gyration_shape_chunk.cpp b/src/USER-MISC/compute_gyration_shape_chunk.cpp index e66173d704..2adfa4d2c9 100644 --- a/src/USER-MISC/compute_gyration_shape_chunk.cpp +++ b/src/USER-MISC/compute_gyration_shape_chunk.cpp @@ -19,7 +19,6 @@ #include "error.h" #include "math_eigen.h" -#include "math_extra.h" #include "math_special.h" #include "memory.h" #include "modify.h" diff --git a/src/USER-MISC/compute_pressure_grem.cpp b/src/USER-MISC/compute_pressure_grem.cpp index 98f699491f..c3144c084c 100644 --- a/src/USER-MISC/compute_pressure_grem.cpp +++ b/src/USER-MISC/compute_pressure_grem.cpp @@ -21,8 +21,6 @@ #include "kspace.h" #include "error.h" -#include - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/dihedral_table_cut.cpp b/src/USER-MISC/dihedral_table_cut.cpp index 02e6d3e5da..eb90fd2dc4 100644 --- a/src/USER-MISC/dihedral_table_cut.cpp +++ b/src/USER-MISC/dihedral_table_cut.cpp @@ -29,7 +29,6 @@ #include "update.h" #include -#include #include // IWYU pragma: keep #include // IWYU pragma: keep diff --git a/src/USER-MISC/fix_addtorque.cpp b/src/USER-MISC/fix_addtorque.cpp index 59f2560e0b..4bcc15933f 100644 --- a/src/USER-MISC/fix_addtorque.cpp +++ b/src/USER-MISC/fix_addtorque.cpp @@ -28,8 +28,6 @@ #include "update.h" #include "variable.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_electron_stopping_fit.cpp b/src/USER-MISC/fix_electron_stopping_fit.cpp index b36984f3df..b3dbfb3337 100644 --- a/src/USER-MISC/fix_electron_stopping_fit.cpp +++ b/src/USER-MISC/fix_electron_stopping_fit.cpp @@ -20,18 +20,13 @@ #include "atom.h" #include "citeme.h" -#include "compute.h" -#include "domain.h" #include "error.h" #include "force.h" #include "math_special.h" -#include "modify.h" -#include "region.h" #include "respa.h" #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_nvk.cpp b/src/USER-MISC/fix_nvk.cpp index ef6c390f95..6426eee5cc 100644 --- a/src/USER-MISC/fix_nvk.cpp +++ b/src/USER-MISC/fix_nvk.cpp @@ -17,14 +17,14 @@ #include "fix_nvk.h" -#include -#include #include "atom.h" -#include "force.h" -#include "update.h" -#include "respa.h" #include "error.h" +#include "force.h" #include "math_extra.h" +#include "respa.h" +#include "update.h" + +#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_orient_eco.cpp b/src/USER-MISC/fix_orient_eco.cpp index 56da3cd6a1..ef68294fde 100644 --- a/src/USER-MISC/fix_orient_eco.cpp +++ b/src/USER-MISC/fix_orient_eco.cpp @@ -32,7 +32,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_rhok.cpp b/src/USER-MISC/fix_rhok.cpp index 18e1ed195f..54c6a0a9aa 100644 --- a/src/USER-MISC/fix_rhok.cpp +++ b/src/USER-MISC/fix_rhok.cpp @@ -24,7 +24,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/fix_wall_region_ees.cpp b/src/USER-MISC/fix_wall_region_ees.cpp index 8a79b73034..84514526b1 100644 --- a/src/USER-MISC/fix_wall_region_ees.cpp +++ b/src/USER-MISC/fix_wall_region_ees.cpp @@ -27,7 +27,6 @@ #include "update.h" #include -#include using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-MISC/pair_wf_cut.cpp b/src/USER-MISC/pair_wf_cut.cpp index d421049cec..451b3f1e49 100644 --- a/src/USER-MISC/pair_wf_cut.cpp +++ b/src/USER-MISC/pair_wf_cut.cpp @@ -25,8 +25,6 @@ #include "memory.h" #include "neigh_list.h" -#include -#include #include using namespace LAMMPS_NS; diff --git a/src/USER-OMP/fix_nvt_asphere_omp.cpp b/src/USER-OMP/fix_nvt_asphere_omp.cpp index c8db9cc98d..2ed5632fad 100644 --- a/src/USER-OMP/fix_nvt_asphere_omp.cpp +++ b/src/USER-OMP/fix_nvt_asphere_omp.cpp @@ -11,11 +11,11 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include #include "fix_nvt_asphere_omp.h" + +#include "error.h" #include "group.h" #include "modify.h" -#include "error.h" using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/fix_nvt_omp.cpp b/src/USER-OMP/fix_nvt_omp.cpp index 240825b2c6..6dc59b2db6 100644 --- a/src/USER-OMP/fix_nvt_omp.cpp +++ b/src/USER-OMP/fix_nvt_omp.cpp @@ -17,8 +17,6 @@ #include "group.h" #include "modify.h" -#include - using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index 6844729e92..17b932baf0 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -17,19 +17,19 @@ #include "fix_qeq_comb_omp.h" -#include -#include -#include "pair_comb.h" #include "atom.h" #include "comm.h" +#include "error.h" #include "force.h" #include "group.h" #include "memory.h" -#include "error.h" #include "neigh_list.h" +#include "pair_comb.h" #include "respa.h" #include "update.h" +#include + using namespace LAMMPS_NS; using namespace FixConst; diff --git a/src/USER-OMP/npair_full_bin_atomonly_omp.cpp b/src/USER-OMP/npair_full_bin_atomonly_omp.cpp index 9a08cd284c..1637805081 100644 --- a/src/USER-OMP/npair_full_bin_atomonly_omp.cpp +++ b/src/USER-OMP/npair_full_bin_atomonly_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_full_bin_atomonly_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_bin_atomonly_newton_omp.cpp b/src/USER-OMP/npair_half_bin_atomonly_newton_omp.cpp index 816ebcb693..2e4ab6509a 100644 --- a/src/USER-OMP/npair_half_bin_atomonly_newton_omp.cpp +++ b/src/USER-OMP/npair_half_bin_atomonly_newton_omp.cpp @@ -11,14 +11,16 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_bin_atomonly_newton_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" #include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp index 43b5e7e822..caea9e13d7 100644 --- a/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_bin_newtoff_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_bin_newtoff_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_bin_newton_omp.cpp b/src/USER-OMP/npair_half_size_bin_newton_omp.cpp index 600348ca73..188e936cc4 100644 --- a/src/USER-OMP/npair_half_size_bin_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_bin_newton_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_bin_newton_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp b/src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp index 88a72c4594..d0c6841c3e 100644 --- a/src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp +++ b/src/USER-OMP/npair_half_size_bin_newton_tri_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_bin_newton_tri_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp index 1e9b9369bd..a8d187d958 100644 --- a/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newtoff_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_multi_newtoff_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_multi_newton_omp.cpp b/src/USER-OMP/npair_half_size_multi_newton_omp.cpp index 0bf79ff77d..61031c553b 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newton_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_multi_newton_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp index 96b57cc7c6..8acfc0e3bc 100644 --- a/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp +++ b/src/USER-OMP/npair_half_size_multi_newton_tri_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_multi_newton_tri_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp index 758eae2bd9..452a17fafe 100644 --- a/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp +++ b/src/USER-OMP/npair_half_size_nsq_newtoff_omp.cpp @@ -11,15 +11,16 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_nsq_newtoff_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" +#include "error.h" #include "group.h" #include "my_page.h" -#include "error.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp b/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp index 6f9a3fbbaa..e63c564a0e 100644 --- a/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp +++ b/src/USER-OMP/npair_half_size_nsq_newton_omp.cpp @@ -11,15 +11,16 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_half_size_nsq_newton_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" +#include "error.h" #include "group.h" #include "my_page.h" -#include "error.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_halffull_newtoff_omp.cpp b/src/USER-OMP/npair_halffull_newtoff_omp.cpp index 088e490384..378859beff 100644 --- a/src/USER-OMP/npair_halffull_newtoff_omp.cpp +++ b/src/USER-OMP/npair_halffull_newtoff_omp.cpp @@ -11,13 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_halffull_newtoff_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" -#include "atom_vec.h" -#include "my_page.h" + #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/npair_halffull_newton_omp.cpp b/src/USER-OMP/npair_halffull_newton_omp.cpp index 6ec75d2428..c9852b526f 100644 --- a/src/USER-OMP/npair_halffull_newton_omp.cpp +++ b/src/USER-OMP/npair_halffull_newton_omp.cpp @@ -11,14 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#include "omp_compat.h" #include "npair_halffull_newton_omp.h" -#include "npair_omp.h" -#include "neigh_list.h" + #include "atom.h" -#include "atom_vec.h" -#include "my_page.h" #include "error.h" +#include "my_page.h" +#include "neigh_list.h" +#include "npair_omp.h" + +#include "omp_compat.h" using namespace LAMMPS_NS; diff --git a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp index 8f255ee1ba..9da74e36b1 100644 --- a/src/USER-OMP/pair_tersoff_mod_c_omp.cpp +++ b/src/USER-OMP/pair_tersoff_mod_c_omp.cpp @@ -20,6 +20,8 @@ #include "neigh_list.h" #include "suffix.h" +#include + #include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathExtra; diff --git a/src/USER-OMP/pair_tersoff_mod_omp.cpp b/src/USER-OMP/pair_tersoff_mod_omp.cpp index 454a387982..28d64ca19f 100644 --- a/src/USER-OMP/pair_tersoff_mod_omp.cpp +++ b/src/USER-OMP/pair_tersoff_mod_omp.cpp @@ -16,12 +16,12 @@ #include "atom.h" #include "comm.h" -#include "force.h" #include "math_extra.h" #include "neigh_list.h" -#include "neighbor.h" #include "suffix.h" +#include + #include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathExtra; diff --git a/src/USER-OMP/pair_tersoff_omp.cpp b/src/USER-OMP/pair_tersoff_omp.cpp index c12e3b9859..55bb7791a4 100644 --- a/src/USER-OMP/pair_tersoff_omp.cpp +++ b/src/USER-OMP/pair_tersoff_omp.cpp @@ -16,13 +16,13 @@ #include "atom.h" #include "comm.h" -#include "force.h" #include "math_extra.h" #include "memory.h" #include "neigh_list.h" -#include "neighbor.h" #include "suffix.h" +#include + #include "omp_compat.h" using namespace LAMMPS_NS; using namespace MathExtra; diff --git a/src/USER-OMP/pair_tersoff_zbl_omp.cpp b/src/USER-OMP/pair_tersoff_zbl_omp.cpp index 2e433a12ee..c0fef02a23 100644 --- a/src/USER-OMP/pair_tersoff_zbl_omp.cpp +++ b/src/USER-OMP/pair_tersoff_zbl_omp.cpp @@ -17,14 +17,15 @@ ------------------------------------------------------------------------- */ #include "pair_tersoff_zbl_omp.h" -#include "update.h" + #include "comm.h" -#include "memory.h" #include "error.h" -#include "tokenizer.h" -#include "potential_file_reader.h" #include "math_const.h" #include "math_special.h" +#include "memory.h" +#include "potential_file_reader.h" +#include "tokenizer.h" +#include "update.h" #include #include diff --git a/src/USER-OMP/pair_vashishta_omp.cpp b/src/USER-OMP/pair_vashishta_omp.cpp index 23d7235578..daac740dbf 100644 --- a/src/USER-OMP/pair_vashishta_omp.cpp +++ b/src/USER-OMP/pair_vashishta_omp.cpp @@ -16,10 +16,8 @@ #include "atom.h" #include "comm.h" -#include "force.h" #include "memory.h" #include "neigh_list.h" -#include "neighbor.h" #include "suffix.h" #include "omp_compat.h" diff --git a/src/USER-PACE/pair_pace.cpp b/src/USER-PACE/pair_pace.cpp index d6eda0f511..cfa98cea54 100644 --- a/src/USER-PACE/pair_pace.cpp +++ b/src/USER-PACE/pair_pace.cpp @@ -40,7 +40,6 @@ Copyright 2021 Yury Lysogorskiy^1, Cas van der Oord^2, Anton Bochkarev^1, #include "neighbor.h" #include "update.h" -#include #include #include "ace_evaluator.h" diff --git a/src/USER-PTM/ptm_constants.cpp b/src/USER-PTM/ptm_constants.cpp index 82bead2101..47d6d010f0 100644 --- a/src/USER-PTM/ptm_constants.cpp +++ b/src/USER-PTM/ptm_constants.cpp @@ -8,7 +8,6 @@ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLI */ #include "ptm_constants.h" -#include const int ptm_num_nbrs[9] = {0, PTM_NUM_NBRS_FCC, PTM_NUM_NBRS_HCP, PTM_NUM_NBRS_BCC, PTM_NUM_NBRS_ICO, PTM_NUM_NBRS_SC, PTM_NUM_NBRS_DCUB, PTM_NUM_NBRS_DHEX, PTM_NUM_NBRS_GRAPHENE}; diff --git a/src/USER-SMD/fix_smd_wall_surface.cpp b/src/USER-SMD/fix_smd_wall_surface.cpp index e9d32b5684..4c9c469bda 100644 --- a/src/USER-SMD/fix_smd_wall_surface.cpp +++ b/src/USER-SMD/fix_smd_wall_surface.cpp @@ -22,7 +22,6 @@ #include "comm.h" #include "domain.h" #include "error.h" -#include "memory.h" #include #include diff --git a/src/atom.cpp b/src/atom.cpp index ecb82993ce..70ed5a3836 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -34,6 +34,7 @@ #include "library.h" #include +#include #include #ifdef LMP_USER_INTEL diff --git a/src/atom_vec.h b/src/atom_vec.h index ea2253d0c3..a1bd8fd812 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -15,6 +15,7 @@ #define LMP_ATOM_VEC_H #include "pointers.h" // IWYU pragma: export +#include namespace LAMMPS_NS { diff --git a/tools/lammps-shell/lammps-shell.cpp b/tools/lammps-shell/lammps-shell.cpp index 6c8873093f..699062059a 100644 --- a/tools/lammps-shell/lammps-shell.cpp +++ b/tools/lammps-shell/lammps-shell.cpp @@ -11,7 +11,6 @@ #include #include #include -#include #include #include #include @@ -352,7 +351,7 @@ static char *plugin_generator(const char *text, int state) { const char *subcmd[] = {"load", "unload", "list", "clear", NULL}; const char *sub; - static std::size_t idx, len; + static std::size_t idx=0, len; if (!state) idx = 0; len = strlen(text); @@ -368,7 +367,7 @@ static char *plugin_style_generator(const char *text, int state) { const char *styles[] = {"pair", "fix", "command", NULL}; const char *s; - static std::size_t idx, len; + static std::size_t idx=0, len; if (!state) idx = 0; len = strlen(text); while ((s = styles[idx]) != NULL) { @@ -384,10 +383,10 @@ static char *plugin_name_generator(const char *text, int state) auto words = utils::split_words(text); if (words.size() < 4) return nullptr; - static std::size_t idx, len; + static std::size_t idx, len, nmax; if (!state) idx = 0; len = words[3].size(); - int nmax = lammps_plugin_count(); + nmax = lammps_plugin_count(); while (idx < nmax) { char style[buflen], name[buflen]; From 92a9994fd4a6998534b4fa0aee3bd199e54d5866 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 18:29:57 -0400 Subject: [PATCH 44/48] silence compiler warnings by avoiding to shadow variables --- src/KSPACE/remap.cpp | 40 +++++++++++++++---------------- src/MANYBODY/pair_eim.cpp | 6 ++--- src/RIGID/fix_rigid.cpp | 4 ++-- src/RIGID/fix_rigid_nh_small.cpp | 6 ++--- src/RIGID/fix_rigid_small.cpp | 20 ++++++++-------- src/USER-OMP/fix_rigid_nh_omp.cpp | 20 +++++++--------- 6 files changed, 46 insertions(+), 50 deletions(-) diff --git a/src/KSPACE/remap.cpp b/src/KSPACE/remap.cpp index c99bbb2562..6caaa9fe2c 100644 --- a/src/KSPACE/remap.cpp +++ b/src/KSPACE/remap.cpp @@ -241,7 +241,7 @@ struct remap_plan_3d *remap_3d_create_plan( struct remap_plan_3d *plan; struct extent_3d *inarray, *outarray; struct extent_3d in,out,overlap; - int i,iproc,nsend,nrecv,ibuf,size,me,nprocs; + int i,j,iproc,nsend,nrecv,ibuf,size,me,nprocs; // query MPI info @@ -465,14 +465,14 @@ struct remap_plan_3d *remap_3d_create_plan( int *commringlist = (int *) malloc(maxcommsize*sizeof(int)); int commringlen = 0; - for (int i = 0; i < nrecv; i++) { + for (i = 0; i < nrecv; i++) { commringlist[i] = plan->recv_proc[i]; commringlen++; } - for (int i = 0; i < nsend; i++) { + for (i = 0; i < nsend; i++) { int foundentry = 0; - for (int j=0;jsend_proc[i]) foundentry = 1; if (!foundentry) { commringlist[commringlen] = plan->send_proc[i]; @@ -483,12 +483,12 @@ struct remap_plan_3d *remap_3d_create_plan( // sort initial commringlist int swap = 0; - for (int c = 0 ; c < (commringlen - 1); c++) { - for (int d = 0 ; d < commringlen - c - 1; d++) { - if (commringlist[d] > commringlist[d+1]) { - swap = commringlist[d]; - commringlist[d] = commringlist[d+1]; - commringlist[d+1] = swap; + for (i = 0 ; i < (commringlen - 1); i++) { + for (j = 0 ; j < commringlen - i - 1; j++) { + if (commringlist[j] > commringlist[j+1]) { + swap = commringlist[j]; + commringlist[j] = commringlist[j+1]; + commringlist[j+1] = swap; } } } @@ -502,12 +502,12 @@ struct remap_plan_3d *remap_3d_create_plan( while (commringappend) { int newcommringlen = commringlen; commringappend = 0; - for (int i=0;i commringlist[d+1]) { - swap = commringlist[d]; - commringlist[d] = commringlist[d+1]; - commringlist[d+1] = swap; + for (i = 0 ; i < ( commringlen - 1 ); i++) { + for (j = 0 ; j < commringlen - i - 1; j++) { + if (commringlist[j] > commringlist[j+1]) { + swap = commringlist[j]; + commringlist[j] = commringlist[j+1]; + commringlist[j+1] = swap; } } } diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index eda1838a5a..611f2a8ea8 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -1028,7 +1028,7 @@ std::pair EIMPotentialFileReader::get_pair(const std:: return std::make_pair(b, a); } -char * EIMPotentialFileReader::next_line(FILE * fp) { +char *EIMPotentialFileReader::next_line(FILE * fp) { // concatenate lines if they end with '&' // strip comments after '#' int n = 0; @@ -1058,7 +1058,7 @@ char * EIMPotentialFileReader::next_line(FILE * fp) { } while (n == 0 || concat) { - char *ptr = fgets(&line[n], MAXLINE - n, fp); + ptr = fgets(&line[n], MAXLINE - n, fp); if (ptr == nullptr) { // EOF @@ -1089,7 +1089,7 @@ char * EIMPotentialFileReader::next_line(FILE * fp) { void EIMPotentialFileReader::parse(FILE * fp) { - char * line = nullptr; + char *line = nullptr; bool found_global = false; while ((line = next_line(fp))) { diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 3cd4f5dbc8..da6785fc4a 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -329,7 +329,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) : pstyle = ANISO; dimension = domain->dimension; - for (int i = 0; i < 3; i++) { + for (i = 0; i < 3; i++) { p_start[i] = p_stop[i] = p_period[i] = 0.0; p_flag[i] = 0; } @@ -551,7 +551,7 @@ FixRigid::FixRigid(LAMMPS *lmp, int narg, char **arg) : // set pstat_flag pstat_flag = 0; - for (int i = 0; i < 3; i++) + for (i = 0; i < 3; i++) if (p_flag[i]) pstat_flag = 1; if (pcouple == XYZ || (dimension == 2 && pcouple == XY)) pstyle = ISO; diff --git a/src/RIGID/fix_rigid_nh_small.cpp b/src/RIGID/fix_rigid_nh_small.cpp index 0f1e813234..cc7ea24c34 100644 --- a/src/RIGID/fix_rigid_nh_small.cpp +++ b/src/RIGID/fix_rigid_nh_small.cpp @@ -705,7 +705,7 @@ void FixRigidNHSmall::final_integrate() if (pstat_flag) { akin_t = akin_r = 0.0; - for (int ibody = 0; ibody < nlocal_body; ibody++) { + for (ibody = 0; ibody < nlocal_body; ibody++) { Body *b = &body[ibody]; akin_t += b->mass*(b->vcm[0]*b->vcm[0] + b->vcm[1]*b->vcm[1] + b->vcm[2]*b->vcm[2]); @@ -856,7 +856,7 @@ void FixRigidNHSmall::nhc_press_integrate() double tb_mass = kt / (p_freq_max * p_freq_max); q_b[0] = dimension * dimension * tb_mass; - for (int i = 1; i < p_chain; i++) { + for (i = 1; i < p_chain; i++) { q_b[i] = tb_mass; f_eta_b[i] = q_b[i-1] * eta_dot_b[i-1] * eta_dot_b[i-1] - kt; f_eta_b[i] /= q_b[i]; @@ -941,7 +941,7 @@ double FixRigidNHSmall::compute_scalar() ke_t = 0.0; ke_q = 0.0; - for (int i = 0; i < nlocal_body; i++) { + for (i = 0; i < nlocal_body; i++) { vcm = body[i].vcm; quat = body[i].quat; ke_t += body[i].mass * (vcm[0]*vcm[0] + vcm[1]*vcm[1] + diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 14bd9f7a55..b7e9dd3902 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -192,7 +192,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) : pcouple = NONE; pstyle = ANISO; - for (int i = 0; i < 3; i++) { + for (i = 0; i < 3; i++) { p_start[i] = p_stop[i] = p_period[i] = 0.0; p_flag[i] = 0; } @@ -367,7 +367,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) : // error check and further setup for Molecule template if (onemols) { - for (int i = 0; i < nmol; i++) { + for (i = 0; i < nmol; i++) { if (onemols[i]->xflag == 0) error->all(FLERR,"Fix rigid/small molecule must have coordinates"); if (onemols[i]->typeflag == 0) @@ -385,7 +385,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) : // set pstat_flag pstat_flag = 0; - for (int i = 0; i < 3; i++) + for (i = 0; i < 3; i++) if (p_flag[i]) pstat_flag = 1; if (pcouple == XYZ || (domain->dimension == 2 && pcouple == XY)) pstyle = ISO; @@ -451,7 +451,7 @@ FixRigidSmall::FixRigidSmall(LAMMPS *lmp, int narg, char **arg) : int one = 0; bigint atomone = 0; - for (int i = 0; i < nlocal; i++) { + for (i = 0; i < nlocal; i++) { if (bodyown[i] >= 0) one++; if (bodytag[i] > 0) atomone++; } @@ -978,7 +978,7 @@ void FixRigidSmall::compute_forces_and_torques() // include Langevin thermostat forces and torques if (langflag) { - for (int ibody = 0; ibody < nlocal_body; ibody++) { + for (ibody = 0; ibody < nlocal_body; ibody++) { fcm = body[ibody].fcm; fcm[0] += langextra[ibody][0]; fcm[1] += langextra[ibody][1]; @@ -1163,7 +1163,7 @@ int FixRigidSmall::dof(int tgroup) // 2 = # of particles in rigid body, disregarding temperature group memory->create(counts,nlocal_body+nghost_body,3,"rigid/small:counts"); - for (int i = 0; i < nlocal_body+nghost_body; i++) + for (i = 0; i < nlocal_body+nghost_body; i++) counts[i][0] = counts[i][1] = counts[i][2] = 0; // tally counts from my owned atoms @@ -1630,7 +1630,7 @@ void FixRigidSmall::create_bodies(tagint *bodyID) MPI_Allreduce(&rsqfar,&maxextent,1,MPI_DOUBLE,MPI_MAX,world); maxextent = sqrt(maxextent); if (onemols) { - for (int i = 0; i < nmol; i++) + for (i = 0; i < nmol; i++) maxextent = MAX(maxextent,onemols[i]->maxextent); } } @@ -1741,7 +1741,7 @@ int FixRigidSmall::rendezvous_body(int n, char *inbuf, double rsqfar = 0.0; - for (int i = 0; i < n; i++) { + for (i = 0; i < n; i++) { m = hash.find(in[i].bodyID)->second; xown = in[iclose[m]].x; x = in[i].x; @@ -1761,7 +1761,7 @@ int FixRigidSmall::rendezvous_body(int n, char *inbuf, OutRvous *out = (OutRvous *) memory->smalloc(nout*sizeof(OutRvous),"rigid/small:out"); - for (int i = 0; i < nout; i++) { + for (i = 0; i < nout; i++) { proclist[i] = in[i].me; out[i].ilocal = in[i].ilocal; m = hash.find(in[i].bodyID)->second; @@ -2493,7 +2493,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody) // for which = 0, store all but inertia directly in body struct // for which = 1, store inertia tensor array, invert 3,4,5 values to Voigt - for (int i = 0; i < nchunk; i++) { + for (i = 0; i < nchunk; i++) { next = strchr(buf,'\n'); values[0] = strtok(buf," \t\n\r\f"); diff --git a/src/USER-OMP/fix_rigid_nh_omp.cpp b/src/USER-OMP/fix_rigid_nh_omp.cpp index 5a1e6ca25e..ae6cb92cee 100644 --- a/src/USER-OMP/fix_rigid_nh_omp.cpp +++ b/src/USER-OMP/fix_rigid_nh_omp.cpp @@ -234,8 +234,6 @@ void FixRigidNHOMP::initial_integrate(int vflag) void FixRigidNHOMP::compute_forces_and_torques() { - int ibody; - double * const * _noalias const x = atom->x; const dbl3_t * _noalias const f = (dbl3_t *) atom->f[0]; const double * const * const torque_one = atom->torque; @@ -373,9 +371,9 @@ void FixRigidNHOMP::compute_forces_and_torques() MPI_Allreduce(sum[0],all[0],6*nbody,MPI_DOUBLE,MPI_SUM,world); #if defined(_OPENMP) -#pragma omp parallel for LMP_DEFAULT_NONE private(ibody) schedule(static) +#pragma omp parallel for LMP_DEFAULT_NONE schedule(static) #endif - for (ibody = 0; ibody < nbody; ibody++) { + for (int ibody = 0; ibody < nbody; ibody++) { fcm[ibody][0] = all[ibody][0] + langextra[ibody][0]; fcm[ibody][1] = all[ibody][1] + langextra[ibody][1]; fcm[ibody][2] = all[ibody][2] + langextra[ibody][2]; @@ -388,9 +386,9 @@ void FixRigidNHOMP::compute_forces_and_torques() if (id_gravity) { #if defined(_OPENMP) -#pragma omp parallel for LMP_DEFAULT_NONE private(ibody) schedule(static) +#pragma omp parallel for LMP_DEFAULT_NONE schedule(static) #endif - for (ibody = 0; ibody < nbody; ibody++) { + for (int ibody = 0; ibody < nbody; ibody++) { fcm[ibody][0] += gvec[0]*masstotal[ibody]; fcm[ibody][1] += gvec[1]*masstotal[ibody]; fcm[ibody][2] += gvec[2]*masstotal[ibody]; @@ -628,12 +626,11 @@ void FixRigidNHOMP::set_xv_thr() // set x and v of each atom const int nlocal = atom->nlocal; - int i; #if defined(_OPENMP) -#pragma omp parallel for LMP_DEFAULT_NONE private(i) reduction(+:v0,v1,v2,v3,v4,v5) +#pragma omp parallel for LMP_DEFAULT_NONE reduction(+:v0,v1,v2,v3,v4,v5) #endif - for (i = 0; i < nlocal; i++) { + for (int i = 0; i < nlocal; i++) { const int ibody = body[i]; if (ibody < 0) continue; @@ -829,12 +826,11 @@ void FixRigidNHOMP::set_v_thr() // set v of each atom const int nlocal = atom->nlocal; - int i; #if defined(_OPENMP) -#pragma omp parallel for LMP_DEFAULT_NONE private(i) reduction(+:v0,v1,v2,v3,v4,v5) +#pragma omp parallel for LMP_DEFAULT_NONE reduction(+:v0,v1,v2,v3,v4,v5) #endif - for (i = 0; i < nlocal; i++) { + for (int i = 0; i < nlocal; i++) { const int ibody = body[i]; if (ibody < 0) continue; From 539ab023654bd9832e00b5cf7426cf2bff2a5884 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 21:05:11 -0400 Subject: [PATCH 45/48] provide more generic implementation of Comm::read_lines_from_file() in utils --- src/utils.cpp | 30 ++++++++++++++++++++ src/utils.h | 25 ++++++++++++++++- unittest/formats/test_file_operations.cpp | 34 ++++++++++++++++++++++- 3 files changed, 87 insertions(+), 2 deletions(-) diff --git a/src/utils.cpp b/src/utils.cpp index 0ff1d65633..9aa8e2f7ee 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -225,6 +225,36 @@ void utils::sfread(const char *srcname, int srcline, void *s, size_t size, /* ------------------------------------------------------------------ */ +/* read N lines and broadcast */ +int utils::read_lines_from_file(FILE *fp, int nlines, int maxline, + char *buffer, int me, MPI_Comm comm) +{ + char *ptr = buffer; + *ptr = '\0'; + + if (me == 0) { + if (fp) { + for (int i = 0; i < nlines; i++) { + ptr = fgets(ptr,maxline,fp); + if (!ptr) break; // EOF? + // advance ptr to end of string and append newline char if needed. + ptr += strlen(ptr); + if (*(--ptr) != '\n') *(++ptr) = '\n'; + // ensure buffer is null terminated. null char is start of next line. + *(++ptr) = '\0'; + } + } + } + + int n = strlen(buffer); + MPI_Bcast(&n,1,MPI_INT,0,comm); + if (n == 0) return 1; + MPI_Bcast(buffer,n+1,MPI_CHAR,0,comm); + return 0; +} + +/* ------------------------------------------------------------------ */ + std::string utils::check_packages_for_style(const std::string &style, const std::string &name, LAMMPS *lmp) diff --git a/src/utils.h b/src/utils.h index c87f0b28a9..b393f89ffa 100644 --- a/src/utils.h +++ b/src/utils.h @@ -17,9 +17,12 @@ /*! \file utils.h */ #include "lmptype.h" + +#include + +#include #include #include -#include namespace LAMMPS_NS { @@ -89,6 +92,26 @@ namespace LAMMPS_NS { void sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp, const char *filename, Error *error); + /** Read N lines of text from file into buffer and broadcast them + * + * This function uses repeated calls to fread() to fill a buffer with + * newline terminated text. If a line does not end in a newline (e.g. + * at the end of a file), it is added. The caller has to allocate an + * nlines by maxline sized buffer for storing the text data. + * Reading is done by MPI rank 0 of the given communicator only, and + * thus only MPI rank 0 needs to provide a valid file pointer. + * + * \param fp file pointer used by fread + * \param nlines number of lines to be read + * \param maxline maximum length of a single line + * \param buffer buffer for storing the data. + * \param me MPI rank of calling process in MPI communicator + * \param comm MPI communicator for broadcast + * \return 1 if the read was short, 0 if read was succesful */ + + int read_lines_from_file(FILE *fp, int nlines, int maxline, + char *buffer, int me, MPI_Comm comm); + /** Report if a requested style is in a package or may have a typo * * \param style type of style that is to be checked for diff --git a/unittest/formats/test_file_operations.cpp b/unittest/formats/test_file_operations.cpp index 700990fb72..9209e67585 100644 --- a/unittest/formats/test_file_operations.cpp +++ b/unittest/formats/test_file_operations.cpp @@ -11,13 +11,13 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#include "../testing/core.h" #include "info.h" #include "input.h" #include "lammps.h" #include "utils.h" #include "gmock/gmock.h" #include "gtest/gtest.h" -#include "../testing/core.h" #include #include @@ -28,6 +28,7 @@ using namespace LAMMPS_NS; using testing::MatchesRegex; using testing::StrEq; +using utils::read_lines_from_file; using utils::sfgets; using utils::sfread; using utils::split_words; @@ -124,6 +125,37 @@ TEST_F(FileOperationsTest, safe_fread) fclose(fp); } +TEST_F(FileOperationsTest, read_lines_from_file) +{ + char *buf = new char[MAX_BUF_SIZE]; + FILE *fp = nullptr; + MPI_Comm world = MPI_COMM_WORLD; + int me, rv; + memset(buf, 0, MAX_BUF_SIZE); + + rv = utils::read_lines_from_file(nullptr, 1, MAX_BUF_SIZE, buf, me, world); + ASSERT_EQ(rv, 1); + + MPI_Comm_rank(world, &me); + if (me == 0) { + fp = fopen("safe_file_read_test.txt", "r"); + ASSERT_NE(fp, nullptr); + } else + ASSERT_EQ(fp, nullptr); + + rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world); + ASSERT_EQ(rv, 0); + ASSERT_THAT(buf, StrEq("one line\ntwo_lines\n")); + + rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world); + ASSERT_EQ(rv, 0); + ASSERT_THAT(buf, StrEq("\nno newline\n")); + + rv = utils::read_lines_from_file(fp, 2, MAX_BUF_SIZE / 2, buf, me, world); + ASSERT_EQ(rv, 1); + delete[] buf; +} + TEST_F(FileOperationsTest, logmesg) { char buf[8]; From 8e5e9951886aabc927358d038d58018a2b384c61 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 21:31:01 -0400 Subject: [PATCH 46/48] add docs for new utility function --- doc/src/Developer_utils.rst | 18 +++++++++++++----- doc/utils/sphinx-config/false_positives.txt | 1 + src/utils.cpp | 4 ++-- src/utils.h | 8 ++++---- 4 files changed, 20 insertions(+), 11 deletions(-) diff --git a/doc/src/Developer_utils.rst b/doc/src/Developer_utils.rst index 17b4715dc7..00a8b43a24 100644 --- a/doc/src/Developer_utils.rst +++ b/doc/src/Developer_utils.rst @@ -12,11 +12,16 @@ reduces redundant implementations and encourages consistent behavior. I/O with status check ^^^^^^^^^^^^^^^^^^^^^ -These are wrappers around the corresponding C library calls like -``fgets()`` or ``fread()``. They will check if there were errors -on reading or an unexpected end-of-file state was reached. In that -case, the functions will stop the calculation with an error message, -indicating the name of the problematic file, if possible. +The the first two functions are wrappers around the corresponding C +library calls ``fgets()`` or ``fread()``. They will check if there +were errors on reading or an unexpected end-of-file state was reached. +In that case, the functions will stop the calculation with an error +message, indicating the name of the problematic file, if possible. +The :cpp:func:`read_lines_from_file` function will read the requested +number of lines of a maximum length into a buffer and will return 0 +if successful or 1 if not. It also guarantees that all lines are +terminated with a newline character and the entire buffer with a +NULL character. ---------- @@ -26,6 +31,9 @@ indicating the name of the problematic file, if possible. .. doxygenfunction:: sfread :project: progguide +.. doxygenfunction:: read_lines_from_file + :project: progguide + ---------- String to number conversions with validity check diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index da69cc4edc..c93685c221 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2190,6 +2190,7 @@ nl nlayers nlen Nlines +nlines nlo nlocal Nlocal diff --git a/src/utils.cpp b/src/utils.cpp index 9aa8e2f7ee..00510984fd 100644 --- a/src/utils.cpp +++ b/src/utils.cpp @@ -226,7 +226,7 @@ void utils::sfread(const char *srcname, int srcline, void *s, size_t size, /* ------------------------------------------------------------------ */ /* read N lines and broadcast */ -int utils::read_lines_from_file(FILE *fp, int nlines, int maxline, +int utils::read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm) { char *ptr = buffer; @@ -235,7 +235,7 @@ int utils::read_lines_from_file(FILE *fp, int nlines, int maxline, if (me == 0) { if (fp) { for (int i = 0; i < nlines; i++) { - ptr = fgets(ptr,maxline,fp); + ptr = fgets(ptr,nmax,fp); if (!ptr) break; // EOF? // advance ptr to end of string and append newline char if needed. ptr += strlen(ptr); diff --git a/src/utils.h b/src/utils.h index b393f89ffa..770c0b527a 100644 --- a/src/utils.h +++ b/src/utils.h @@ -97,19 +97,19 @@ namespace LAMMPS_NS { * This function uses repeated calls to fread() to fill a buffer with * newline terminated text. If a line does not end in a newline (e.g. * at the end of a file), it is added. The caller has to allocate an - * nlines by maxline sized buffer for storing the text data. + * nlines by nmax sized buffer for storing the text data. * Reading is done by MPI rank 0 of the given communicator only, and * thus only MPI rank 0 needs to provide a valid file pointer. * * \param fp file pointer used by fread * \param nlines number of lines to be read - * \param maxline maximum length of a single line + * \param nmax maximum length of a single line * \param buffer buffer for storing the data. * \param me MPI rank of calling process in MPI communicator * \param comm MPI communicator for broadcast - * \return 1 if the read was short, 0 if read was succesful */ + * \return 1 if the read was short, 0 if read was successful */ - int read_lines_from_file(FILE *fp, int nlines, int maxline, + int read_lines_from_file(FILE *fp, int nlines, int nmax, char *buffer, int me, MPI_Comm comm); /** Report if a requested style is in a package or may have a typo From 7e7a448a08714a8a83bdb00f5c6f9b194905d1e6 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 21:33:36 -0400 Subject: [PATCH 47/48] remove the old versions of the utility function and use the new --- lib/atc/LammpsInterface.cpp | 4 ++- src/REPLICA/neb.cpp | 5 +-- src/RIGID/fix_rigid.cpp | 2 +- src/RIGID/fix_rigid_small.cpp | 2 +- src/SPIN/neb_spin.cpp | 5 +-- src/comm.cpp | 68 ----------------------------------- src/comm.h | 3 -- src/read_data.cpp | 30 ++++++++-------- src/variable.cpp | 2 +- 9 files changed, 27 insertions(+), 94 deletions(-) diff --git a/lib/atc/LammpsInterface.cpp b/lib/atc/LammpsInterface.cpp index 5727af1904..b123331ee7 100644 --- a/lib/atc/LammpsInterface.cpp +++ b/lib/atc/LammpsInterface.cpp @@ -26,6 +26,7 @@ #include "bond.h" // bond potentials #include "comm.h" // #include "fix.h" +#include "utils.h" // ATC includes #include "ATC_Error.h" @@ -47,6 +48,7 @@ using std::pair; using std::string; using std::set; using LAMMPS_NS::bigint; +using LAMMPS_NS::utils::read_lines_from_file; namespace ATC { @@ -236,7 +238,7 @@ std::string LammpsInterface::read_file(std::string filename) const std::stringstream s; bool eof = false; while ( ! eof) { - eof = lammps_->comm->read_lines_from_file(fp,1,MAXLINE,buffer); + eof = read_lines_from_file(fp,1,MAXLINE,buffer,comm_rank(),lammps_->world); s << buffer; } fclose(fp); diff --git a/src/REPLICA/neb.cpp b/src/REPLICA/neb.cpp index 7183bdd168..295e97dee8 100644 --- a/src/REPLICA/neb.cpp +++ b/src/REPLICA/neb.cpp @@ -436,9 +436,10 @@ void NEB::readfile(char *file, int flag) while (nread < nlines) { nchunk = MIN(nlines-nread,CHUNK); if (flag == 0) - eofflag = comm->read_lines_from_file_universe(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer, + universe->me,universe->uworld); else - eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eofflag) error->all(FLERR,"Unexpected end of NEB file"); buf = buffer; diff --git a/src/RIGID/fix_rigid.cpp b/src/RIGID/fix_rigid.cpp index 3cd4f5dbc8..2ec8821666 100644 --- a/src/RIGID/fix_rigid.cpp +++ b/src/RIGID/fix_rigid.cpp @@ -2302,7 +2302,7 @@ void FixRigid::readfile(int which, double *vec, int nread = 0; while (nread < nlines) { nchunk = MIN(nlines-nread,CHUNK); - eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eofflag) error->all(FLERR,"Unexpected end of fix rigid file"); buf = buffer; diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 14bd9f7a55..2cd87c45dc 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -2475,7 +2475,7 @@ void FixRigidSmall::readfile(int which, double **array, int *inbody) int nread = 0; while (nread < nlines) { nchunk = MIN(nlines-nread,CHUNK); - eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eofflag) error->all(FLERR,"Unexpected end of fix rigid/small file"); buf = buffer; diff --git a/src/SPIN/neb_spin.cpp b/src/SPIN/neb_spin.cpp index 88a0ffc402..1761f73323 100644 --- a/src/SPIN/neb_spin.cpp +++ b/src/SPIN/neb_spin.cpp @@ -430,9 +430,10 @@ void NEBSpin::readfile(char *file, int flag) while (nread < nlines) { nchunk = MIN(nlines-nread,CHUNK); if (flag == 0) - eofflag = comm->read_lines_from_file_universe(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer, + universe->me,universe->uworld); else - eofflag = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eofflag = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eofflag) error->all(FLERR,"Unexpected end of neb/spin file"); buf = buffer; diff --git a/src/comm.cpp b/src/comm.cpp index 6d3f72d9c0..aa51c0484f 100644 --- a/src/comm.cpp +++ b/src/comm.cpp @@ -1240,71 +1240,3 @@ void Comm::rendezvous_stats(int n, int nout, int nrvous, int nrvous_out, utils::logmesg(lmp,mesg); } } - -/* ---------------------------------------------------------------------- - proc 0 reads Nlines from file into buf and bcasts buf to all procs - caller allocates buf to max size needed - each line is terminated by newline, even if last line in file is not - return 0 if successful, 1 if get EOF error before read is complete -------------------------------------------------------------------------- */ - -int Comm::read_lines_from_file(FILE *fp, int nlines, int maxline, char *buf) -{ - int m; - - if (me == 0) { - m = 0; - for (int i = 0; i < nlines; i++) { - if (!fgets(&buf[m],maxline,fp)) { - m = 0; - break; - } - m += strlen(&buf[m]); - } - if (m) { - if (buf[m-1] != '\n') strcpy(&buf[m++],"\n"); - m++; - } - } - - MPI_Bcast(&m,1,MPI_INT,0,world); - if (m == 0) return 1; - MPI_Bcast(buf,m,MPI_CHAR,0,world); - return 0; -} - -/* ---------------------------------------------------------------------- - proc 0 reads Nlines from file into buf and bcasts buf to all procs - caller allocates buf to max size needed - each line is terminated by newline, even if last line in file is not - return 0 if successful, 1 if get EOF error before read is complete -------------------------------------------------------------------------- */ - -int Comm::read_lines_from_file_universe(FILE *fp, int nlines, int maxline, - char *buf) -{ - int m; - - int me_universe = universe->me; - MPI_Comm uworld = universe->uworld; - - if (me_universe == 0) { - m = 0; - for (int i = 0; i < nlines; i++) { - if (!fgets(&buf[m],maxline,fp)) { - m = 0; - break; - } - m += strlen(&buf[m]); - } - if (m) { - if (buf[m-1] != '\n') strcpy(&buf[m++],"\n"); - m++; - } - } - - MPI_Bcast(&m,1,MPI_INT,0,uworld); - if (m == 0) return 1; - MPI_Bcast(buf,m,MPI_CHAR,0,uworld); - return 0; -} diff --git a/src/comm.h b/src/comm.h index d283144501..0bcd23cd8a 100644 --- a/src/comm.h +++ b/src/comm.h @@ -114,9 +114,6 @@ class Comm : protected Pointers { int (*)(int, char *, int &, int *&, char *&, void *), int, char *&, int, void *, int statflag=0); - int read_lines_from_file(FILE *, int, int, char *); - int read_lines_from_file_universe(FILE *, int, int, char *); - // extract data useful to other classes virtual void *extract(const char *, int &) {return nullptr;} diff --git a/src/read_data.cpp b/src/read_data.cpp index c0085f19d1..6ea22264cd 100644 --- a/src/read_data.cpp +++ b/src/read_data.cpp @@ -1226,7 +1226,7 @@ void ReadData::atoms() while (nread < natoms) { nchunk = MIN(natoms-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_atoms(nchunk,buffer,id_offset,mol_offset,toffset,shiftflag,shift); nread += nchunk; @@ -1282,7 +1282,7 @@ void ReadData::velocities() while (nread < natoms) { nchunk = MIN(natoms-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_vels(nchunk,buffer,id_offset); nread += nchunk; @@ -1324,7 +1324,7 @@ void ReadData::bonds(int firstpass) while (nread < nbonds) { nchunk = MIN(nbonds-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_bonds(nchunk,buffer,count,id_offset,boffset); nread += nchunk; @@ -1398,7 +1398,7 @@ void ReadData::angles(int firstpass) while (nread < nangles) { nchunk = MIN(nangles-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_angles(nchunk,buffer,count,id_offset,aoffset); nread += nchunk; @@ -1472,7 +1472,7 @@ void ReadData::dihedrals(int firstpass) while (nread < ndihedrals) { nchunk = MIN(ndihedrals-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_dihedrals(nchunk,buffer,count,id_offset,doffset); nread += nchunk; @@ -1546,7 +1546,7 @@ void ReadData::impropers(int firstpass) while (nread < nimpropers) { nchunk = MIN(nimpropers-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_impropers(nchunk,buffer,count,id_offset,ioffset); nread += nchunk; @@ -1613,7 +1613,7 @@ void ReadData::bonus(bigint nbonus, AtomVec *ptr, const char *type) while (nread < natoms) { nchunk = MIN(natoms-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); atom->data_bonus(nchunk,buffer,ptr,id_offset); nread += nchunk; @@ -1739,7 +1739,7 @@ void ReadData::mass() char *next; char *buf = new char[ntypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,ntypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,ntypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1759,7 +1759,7 @@ void ReadData::paircoeffs() char *next; char *buf = new char[ntypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,ntypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,ntypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1785,7 +1785,7 @@ void ReadData::pairIJcoeffs() int nsq = ntypes * (ntypes+1) / 2; char *buf = new char[nsq * MAXLINE]; - int eof = comm->read_lines_from_file(fp,nsq,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,nsq,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1811,7 +1811,7 @@ void ReadData::bondcoeffs() char *next; char *buf = new char[nbondtypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,nbondtypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,nbondtypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1836,7 +1836,7 @@ void ReadData::anglecoeffs(int which) char *next; char *buf = new char[nangletypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,nangletypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,nangletypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1862,7 +1862,7 @@ void ReadData::dihedralcoeffs(int which) char *next; char *buf = new char[ndihedraltypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,ndihedraltypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,ndihedraltypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1892,7 +1892,7 @@ void ReadData::impropercoeffs(int which) char *next; char *buf = new char[nimpropertypes*MAXLINE]; - int eof = comm->read_lines_from_file(fp,nimpropertypes,MAXLINE,buf); + int eof = utils::read_lines_from_file(fp,nimpropertypes,MAXLINE,buf,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); char *original = buf; @@ -1922,7 +1922,7 @@ void ReadData::fix(int ifix, char *keyword) bigint nread = 0; while (nread < nline) { nchunk = MIN(nline-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) error->all(FLERR,"Unexpected end of data file"); modify->fix[ifix]->read_data_section(keyword,nchunk,buffer,id_offset); nread += nchunk; diff --git a/src/variable.cpp b/src/variable.cpp index ac225230cf..9cbbbc13d2 100644 --- a/src/variable.cpp +++ b/src/variable.cpp @@ -5176,7 +5176,7 @@ int VarReader::read_peratom() bigint nread = 0; while (nread < nlines) { nchunk = MIN(nlines-nread,CHUNK); - eof = comm->read_lines_from_file(fp,nchunk,MAXLINE,buffer); + eof = utils::read_lines_from_file(fp,nchunk,MAXLINE,buffer,me,world); if (eof) return 1; char *buf = buffer; From b0cd6b3ef7fd34e6ce851230038b76aaf26edf2b Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 24 Apr 2021 22:08:28 -0400 Subject: [PATCH 48/48] improve docs also for related functions --- doc/src/Developer_utils.rst | 6 ++++-- doc/utils/sphinx-config/false_positives.txt | 1 + src/utils.h | 18 +++++++++++------- 3 files changed, 16 insertions(+), 9 deletions(-) diff --git a/doc/src/Developer_utils.rst b/doc/src/Developer_utils.rst index 00a8b43a24..3165aaae75 100644 --- a/doc/src/Developer_utils.rst +++ b/doc/src/Developer_utils.rst @@ -15,8 +15,10 @@ I/O with status check The the first two functions are wrappers around the corresponding C library calls ``fgets()`` or ``fread()``. They will check if there were errors on reading or an unexpected end-of-file state was reached. -In that case, the functions will stop the calculation with an error -message, indicating the name of the problematic file, if possible. +In that case, the functions will stop with an error message, indicating +the name of the problematic file, if possible unless the *error* argument +is a NULL pointer. + The :cpp:func:`read_lines_from_file` function will read the requested number of lines of a maximum length into a buffer and will return 0 if successful or 1 if not. It also guarantees that all lines are diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index c93685c221..cefed6949d 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2282,6 +2282,7 @@ Ntype ntypes Ntypes nucleotides +nullptr num numa numactl diff --git a/src/utils.h b/src/utils.h index 770c0b527a..21feef048b 100644 --- a/src/utils.h +++ b/src/utils.h @@ -55,7 +55,7 @@ namespace LAMMPS_NS { void logmesg(LAMMPS *lmp, const std::string &mesg); - /** return a string representing the current system error status + /** Return a string representing the current system error status * * This is a wrapper around calling strerror(errno). * @@ -63,8 +63,10 @@ namespace LAMMPS_NS { std::string getsyserror(); - /** safe wrapper around fgets() which aborts on errors - * or EOF and prints a suitable error message to help debugging + /** Safe wrapper around fgets() which aborts on errors + * or EOF and prints a suitable error message to help debugging. + * + * Use nullptr as the error parameter to avoid the abort on EOF or error. * * \param srcname name of the calling source file (from FLERR macro) * \param srcline line in the calling source file (from FLERR macro) @@ -72,13 +74,15 @@ namespace LAMMPS_NS { * \param size size of buffer s (max number of bytes read by fgets()) * \param fp file pointer used by fgets() * \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect) - * \param error pointer to Error class instance (for abort) */ + * \param error pointer to Error class instance (for abort) or nullptr */ void sfgets(const char *srcname, int srcline, char *s, int size, FILE *fp, const char *filename, Error *error); - /** safe wrapper around fread() which aborts on errors - * or EOF and prints a suitable error message to help debugging + /** Safe wrapper around fread() which aborts on errors + * or EOF and prints a suitable error message to help debugging. + * + * Use nullptr as the error parameter to avoid the abort on EOF or error. * * \param srcname name of the calling source file (from FLERR macro) * \param srcline line in the calling source file (from FLERR macro) @@ -87,7 +91,7 @@ namespace LAMMPS_NS { * \param num number of data elements read by fread() * \param fp file pointer used by fread() * \param filename file name associated with fp (may be a null pointer; then LAMMPS will try to detect) - * \param error pointer to Error class instance (for abort) */ + * \param error pointer to Error class instance (for abort) or nullptr */ void sfread(const char *srcname, int srcline, void *s, size_t size, size_t num, FILE *fp, const char *filename, Error *error);