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Steven J. Plimpton b31f0245d0 2 small bug fixes to load balancing 2018-07-11 15:55:16 -06:00
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ASPHERE replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
BODY replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
CLASS2 Fix issues in Kokkos topology files 2018-05-30 12:31:20 -06:00
COLLOID move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
COMPRESS port dump_modify maxfiles option to COMPRESS and MPIIO package 2018-05-10 23:44:27 -04:00
CORESHELL update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
DEPEND Fix more typos in src files 2017-03-07 00:55:01 -05:00
DIPOLE Merge pull request #926 from ndtrung81/gpu-updates 2018-06-13 12:57:01 -06:00
GPU Updates to the core-shell gpu pair styles 2018-06-20 10:43:13 -05:00
GRANULAR move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
KIM update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
KOKKOS Fix issues in Kokkos topology files 2018-05-30 12:31:20 -06:00
KSPACE remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
LATTE fix glitch in ABIVERSION in fix latte 2018-06-29 15:08:19 -06:00
MAKE better rRESPA doc page, also a new Makefile.theta 2018-07-11 08:42:28 -06:00
MANYBODY avoiding variable length array in pair style comb3 by declaring MAXLIB const 2018-05-04 21:48:44 -04:00
MC replace variable length arrays in fix gcmc with new/delete 2018-05-04 18:48:43 -04:00
MEAM update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
MISC C include 2018-06-14 13:57:10 +02:00
MOLECULE Fix issues in Kokkos topology files 2018-05-30 12:31:20 -06:00
MPIIO Merge pull request #907 from akohlmey/dump_maxfile 2018-05-12 12:59:33 -06:00
MSCG remove dead code and fix compilation for fix mscg 2018-05-07 07:23:29 -04:00
OPT remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
PERI replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
POEMS correct small bugs found by coverity scan static code analysis 2018-05-11 00:43:09 -04:00
PYTHON Fixes issue #975 2018-06-29 16:03:38 -04:00
QEQ update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
REAX update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
REPLICA more cosmetic changes to silence pedantic warnings 2018-05-04 22:34:20 -04:00
RIGID correct small bugs found by coverity scan static code analysis 2018-05-11 00:43:09 -04:00
SHOCK move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
SNAP Fix possible MPI deadlock in pair_snap 2018-05-24 15:31:49 -06:00
SPIN convert c-style includes for c-library calls to c++-style 2018-07-10 09:48:49 -04:00
SRD move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
STUBS add support for MPI_Request_free() to MPI STUBS library 2017-03-17 11:40:09 -04:00
USER-ATC replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-AWPMD update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-BOCS adapt isfinite() handling to upstream 2018-05-05 11:46:35 -04:00
USER-CGDNA update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-CGSDK update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-COLVARS Merge pull request #881 from akohlmey/cplus-plus-style-includes 2018-05-03 11:25:51 -06:00
USER-DIFFRACTION replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-DPD USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version 2018-05-09 15:00:10 -05:00
USER-DRUDE address a few cosmetic issues flagged by -Wpedantic 2018-05-04 22:17:25 -04:00
USER-EFF move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
USER-FEP update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-H5MD update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-INTEL Intel Package: Bug fix when using LRT with minimize. Bug fix for virial calculation when using GNU compilers. Most of framework for adding hybrid support is now in place. 2018-06-22 01:52:55 -07:00
USER-LB replace variable length array in fix lb/momentum with fixed size array 2018-05-04 19:00:43 -04:00
USER-MANIFOLD change warning and move it do init() as discussed in PR #943 2018-06-15 17:27:23 -04:00
USER-MEAMC Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang 2018-06-15 12:33:38 +02:00
USER-MESO must use fabs() on doubles, not abs(), to avoid ambiguity 2018-05-07 15:56:35 -04:00
USER-MGPT new SNAP potential for W 2017-02-21 15:49:21 -07:00
USER-MISC Merge branch 'master' into collected-small-changes 2018-06-29 14:59:02 -04:00
USER-MOFFF replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-MOLFILE update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-NETCDF update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-OMP remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
USER-PHONON update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
USER-QMMM replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-QTB replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-QUIP fix restart bug in pair style quip 2018-05-31 18:54:38 -04:00
USER-REAXC add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct. 2018-06-20 15:47:32 -04:00
USER-SMD move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
USER-SMTBQ replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-SPH replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-TALLY replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
USER-UEF move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h 2018-05-10 01:09:04 -04:00
USER-VTK move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h 2018-05-10 01:09:04 -04:00
VORONOI replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
.gitignore Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:09:51 -04:00
Depend.sh update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
Install.sh update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
Make.sh refactor the gathering of compile time settings after discussion with @sjplimp 2018-06-20 17:23:37 -04:00
Makefile Merge branch 'record-compile-flags' of https://github.com/akohlmey/lammps into collected-cmake-changes 2018-06-29 00:09:51 -04:00
Makefile.list remove pair_zhou from Makefile.list 2017-03-18 20:48:49 -04:00
Makefile.package.empty git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-14 17:39:05 +00:00
Makefile.package.settings.empty
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Package.sh update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09 16:13:54 -04:00
Purge.list small change to preempt a possible merge conflict 2018-06-22 08:19:49 -04:00
accelerator_kokkos.h Fix compiler warnings 2018-03-14 13:27:03 -06:00
accelerator_omp.h
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angle.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
angle.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
angle_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
angle_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
angle_zero.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
angle_zero.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom.cpp whitespace cleanup 2018-06-18 17:55:12 -04:00
atom.h Commit modifs before release 1 (03/26/18) 2018-04-26 15:26:31 -06:00
atom_map.cpp Kokkos doesn't yet support map_style hash, so use may_style array by default if Kokkos is enabled 2018-06-08 09:38:16 -06:00
atom_map.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
atom_masks.h Updates to Kokkos files 2016-12-15 11:18:50 -07:00
atom_vec.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_atomic.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_atomic.h
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atom_vec_body.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_body.h whitespace cleanup 2018-03-15 21:57:45 -04:00
atom_vec_charge.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_charge.h
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atom_vec_ellipsoid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_ellipsoid.h remove executable permissions on non-executables and non-scripts 2016-09-08 14:45:07 -04:00
atom_vec_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_line.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_line.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14480 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-23 00:49:16 +00:00
atom_vec_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_sphere.h
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atom_vec_tri.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
atom_vec_tri.h Fix typos in src files 2017-03-05 21:03:40 -05:00
balance.cpp 2 small bug fixes to load balancing 2018-07-11 15:55:16 -06:00
balance.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
body.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
body.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-11 22:00:29 +00:00
bond.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
bond.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
bond_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
bond_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
bond_zero.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
bond_zero.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
change_box.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
change_box.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
citeme.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
citeme.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
comm.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
comm.h move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
comm_brick.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
comm_brick.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 17:39:55 +00:00
comm_tiled.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
comm_tiled.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute.h new dump_modify refresh and compute displace/atom refresh commands for incremental dump files 2018-03-27 14:37:04 -06:00
compute_aggregate_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_aggregate_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_angle.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_angle.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_angle_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_angle_local.h added functionity to lib interface 2016-12-13 16:22:17 -07:00
compute_angmom_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_angmom_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13286 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-25 15:50:57 +00:00
compute_bond.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_bond.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_bond_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_bond_local.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_centro_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_centro_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_chunk_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_chunk_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_cluster_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_cluster_atom.h add new compute fragment/atom 2017-08-18 19:07:32 -04:00
compute_cna_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_cna_atom.h Fix typos in src files 2017-03-05 21:03:40 -05:00
compute_com.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-02 14:08:20 +00:00
compute_com.h
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compute_com_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_com_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-14 22:14:34 +00:00
compute_contact_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_contact_atom.h Fix typos in src files 2017-03-05 21:03:40 -05:00
compute_coord_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_coord_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_dihedral.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_dihedral.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_dihedral_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_dihedral_local.h added functionity to lib interface 2016-12-13 16:22:17 -07:00
compute_dipole_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_dipole_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-22 15:55:54 +00:00
compute_displace_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_displace_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_erotate_sphere.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
compute_erotate_sphere.h
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compute_erotate_sphere_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_erotate_sphere_atom.h
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compute_fragment_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_fragment_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_global_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_global_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_group_group.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_group_group.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_gyration.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_gyration.h
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compute_gyration_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_gyration_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
compute_heat_flux.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_heat_flux.h
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compute_hexorder_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_hexorder_atom.h Fix typos in src files 2017-03-05 21:03:40 -05:00
compute_improper.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_improper.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_improper_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_improper_local.h added functionity to lib interface 2016-12-13 16:22:17 -07:00
compute_inertia_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_inertia_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
compute_ke.cpp git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
compute_ke.h
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compute_ke_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_ke_atom.h
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compute_msd.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_msd.h Added average keyword 2015-12-02 05:06:52 +00:00
compute_msd_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_msd_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
compute_omega_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_omega_chunk.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_orientorder_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_orientorder_atom.h replace leading tabs 2018-03-16 12:34:33 -04:00
compute_pair.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_pair.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_pair_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_pair_local.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_pe.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_pe.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-12 22:59:27 +00:00
compute_pe_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_pe_atom.h remove executable permissions on non-executables and non-scripts 2016-09-08 14:45:07 -04:00
compute_pressure.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_pressure.h initial import of adapted gREM code by David Stelter and Edyta Malolepsza 2016-11-13 18:44:10 -05:00
compute_property_atom.cpp Merge from lammps master 2018-05-21 16:06:53 -06:00
compute_property_atom.h Commit modifs before release 1 (03/26/18) 2018-04-26 15:26:31 -06:00
compute_property_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_property_chunk.h Fix typos in src files 2017-03-05 21:03:40 -05:00
compute_property_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_property_local.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_rdf.cpp fix typo reported in #915 2018-05-21 16:49:00 -04:00
compute_rdf.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_reduce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_reduce.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
compute_reduce_region.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_reduce_region.h
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compute_slice.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_slice.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
compute_stress_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_stress_atom.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
compute_temp.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
compute_temp_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
compute_temp_com.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_com.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_deform.cpp move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
compute_temp_deform.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_partial.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_partial.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_profile.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_profile.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_ramp.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_ramp.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_region.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_region.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_temp_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_temp_sphere.h port thread-safe temperature biasing from LAMMPS-ICMS 2017-05-16 18:15:13 -04:00
compute_torque_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_torque_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
compute_vacf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_vacf.h remove executable permissions on non-executables and non-scripts 2016-09-08 14:45:07 -04:00
compute_vcm_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
compute_vcm_chunk.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
create_atoms.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
create_atoms.h Fix typos in src files 2017-03-05 21:03:40 -05:00
create_bonds.cpp port bugfix for single/bond to single/angle and single/dihedral 2018-05-04 00:32:13 -04:00
create_bonds.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
create_box.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
create_box.h
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delete_atoms.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
delete_atoms.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
delete_bonds.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
delete_bonds.h
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dihedral.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dihedral.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dihedral_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dihedral_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dihedral_zero.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dihedral_zero.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
displace_atoms.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
displace_atoms.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
domain.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
domain.h move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
dump.cpp dump_modify maxfiles tweak 2018-05-11 15:54:16 -06:00
dump.h Merge pull request #907 from akohlmey/dump_maxfile 2018-05-12 12:59:33 -06:00
dump_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dump_atom.h
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dump_cfg.cpp move enum{INT,DOUBLE,STRING,BIGINT}; to Dump class in dump.h 2018-05-10 01:09:04 -04:00
dump_cfg.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
dump_custom.cpp new ARM makefiles, also some doc tweaks 2018-06-29 08:06:51 -06:00
dump_custom.h Commit modifs before release 1 (03/26/18) 2018-04-26 15:26:31 -06:00
dump_dcd.cpp revert <cinttypes> back to <inttypes.h> as the former seems to require C++-11 2018-04-27 18:39:11 -04:00
dump_dcd.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 16:10:43 +00:00
dump_image.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dump_image.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
dump_local.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dump_local.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
dump_movie.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dump_movie.h
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dump_xyz.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
dump_xyz.h
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error.cpp whitespace cleanup 2018-06-01 16:11:43 -04:00
error.h Make exceptions control flow and functions optional 2016-09-16 18:57:37 -04:00
exceptions.h Make exceptions control flow and functions optional 2016-09-16 18:57:37 -04:00
finish.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
finish.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix.h Moved some stuff around. 2017-10-26 12:25:55 -04:00
fix_adapt.cpp fix/adapt wildcard bondtypes 2018-05-25 21:18:11 -06:00
fix_adapt.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_addforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_addforce.h Fix typos in src files 2017-03-05 21:03:40 -05:00
fix_ave_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_atom.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_chunk.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_correlate.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_correlate.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_histo.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_histo.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_histo_weight.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_histo_weight.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_time.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_ave_time.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_aveforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_aveforce.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_balance.cpp 2 small bug fixes to load balancing 2018-07-11 15:55:16 -06:00
fix_balance.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_box_relax.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_box_relax.h
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fix_controller.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_controller.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_deform.cpp move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
fix_deform.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_deprecated.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_deprecated.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_drag.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_drag.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_dt_reset.cpp Limit atom energy change in fix dt/reset 2018-05-28 10:57:40 +03:00
fix_dt_reset.h Limit atom energy change in fix dt/reset 2018-05-28 10:57:40 +03:00
fix_enforce2d.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_enforce2d.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_external.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_external.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_gravity.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_gravity.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_group.cpp Merge pull request #878 from jrgissing/group_extract 2018-05-07 11:45:37 -06:00
fix_group.h add extract to fix_group 2018-04-24 22:53:54 -06:00
fix_halt.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_halt.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_heat.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_heat.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_indent.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_indent.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_langevin.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_langevin.h replace leading tabs 2018-03-16 12:34:33 -04:00
fix_lineforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_lineforce.h
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fix_minimize.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_minimize.h
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fix_momentum.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_momentum.h fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 2017-03-23 15:31:27 -06:00
fix_move.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_move.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_neigh_history.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_neigh_history.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_nh.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nh.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_nh_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nh_sphere.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_nph.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nph.h
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fix_nph_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nph_sphere.h
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fix_npt.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_npt.h
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fix_npt_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_npt_sphere.h
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fix_nve.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nve.h
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fix_nve_limit.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nve_limit.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-15 15:26:57 +00:00
fix_nve_noforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nve_noforce.h
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fix_nve_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nve_sphere.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_nvt.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nvt.h
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fix_nvt_sllod.cpp move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h 2018-05-10 00:20:10 -04:00
fix_nvt_sllod.h
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fix_nvt_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_nvt_sphere.h
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fix_planeforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_planeforce.h
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fix_press_berendsen.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_press_berendsen.h
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fix_print.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_print.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_property_atom.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_property_atom.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_read_restart.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_read_restart.h
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fix_recenter.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_recenter.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-12-02 02:15:39 +00:00
fix_respa.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_respa.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13757 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-28 16:04:10 +00:00
fix_restrain.cpp Update fix_restrain.cpp 2018-05-08 15:36:32 -04:00
fix_restrain.h forgot to reduce energies 2018-05-08 10:46:41 +02:00
fix_setforce.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_setforce.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_spring.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_spring.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_spring_chunk.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_spring_chunk.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_spring_rg.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_spring_rg.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_spring_self.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_spring_self.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_store.cpp 2 small bug fixes to load balancing 2018-07-11 15:55:16 -06:00
fix_store.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_store_force.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_store_force.h
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fix_store_state.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_store_state.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14423 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-01-11 23:38:16 +00:00
fix_temp_berendsen.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_temp_berendsen.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_temp_csld.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_temp_csld.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_temp_csvr.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_temp_csvr.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-08 16:18:20 +00:00
fix_temp_rescale.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_temp_rescale.h
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fix_tmd.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_tmd.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_vector.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_vector.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
fix_viscous.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_viscous.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_wall.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +00:00
fix_wall_harmonic.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_harmonic.h
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fix_wall_lj93.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_lj93.h Adding fix_wall_lj93_kokkos 2017-03-02 14:02:49 -07:00
fix_wall_lj126.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_lj126.h
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fix_wall_lj1043.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_lj1043.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
fix_wall_reflect.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_reflect.h
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fix_wall_region.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
fix_wall_region.h import changes to various fixes by aidan to include virial contributions 2017-09-11 22:24:06 -04:00
force.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
force.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
group.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
group.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
image.cpp replace variable length array with new/delete in PNG support of dump image 2018-05-04 16:30:52 -04:00
image.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
imbalance.cpp new verion of balance weighting 2016-09-23 14:37:53 -06:00
imbalance.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
imbalance_group.cpp changes to imbalance weight factors 2016-10-05 10:33:39 -06:00
imbalance_group.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
imbalance_neigh.cpp remove trailing whitespace 2018-03-16 12:37:27 -04:00
imbalance_neigh.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
imbalance_store.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
imbalance_store.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
imbalance_time.cpp remove trailing whitespace 2018-03-16 12:37:27 -04:00
imbalance_time.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
imbalance_var.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
imbalance_var.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
improper.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
improper.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
improper_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
improper_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
improper_zero.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
improper_zero.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
info.cpp Add library functions for accessing LAMMPS configuration 2018-06-25 23:56:18 -04:00
info.h Add library functions for accessing LAMMPS configuration 2018-06-25 23:56:18 -04:00
input.cpp made latte.in compatible with v1.1.1 and updated log files 2018-06-21 11:10:29 -06:00
input.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
integrate.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
integrate.h default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes 2018-02-22 07:53:58 -05:00
irregular.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
irregular.h make pre-processor defines for using libc's qsort() consistent 2017-06-20 17:13:42 -04:00
kspace.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
kspace.h cleanup embedded or trailing tabs 2018-03-16 13:21:54 -04:00
lammps.cpp make compile time output more consistent and complete 2018-06-22 07:05:09 -04:00
lammps.h make the list of installed packages a static const class member of the LAMMPS class 2018-06-21 19:07:16 -04:00
lattice.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
lattice.h
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library.cpp Add library functions for accessing LAMMPS configuration 2018-06-25 23:56:18 -04:00
library.h Add library functions for accessing LAMMPS configuration 2018-06-25 23:56:18 -04:00
lmptype.h Revert "workaround for ISFINITE() macro to work with the latest KOKKOS library update" 2018-05-03 13:08:15 -04:00
lmpwindows.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
main.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
math_complex.h remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
math_const.h comm tiled bug fix 2016-09-16 10:31:52 -06:00
math_extra.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
math_extra.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
math_special.cpp revert <cstdint> back to <stdint.h> as the former seems to require C++-11 2018-04-27 18:25:30 -04:00
math_special.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
math_vector.h remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
memory.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
memory.h Make memory_kokkos its own class 2017-12-01 09:13:31 -07:00
mergesort.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
min_cg.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_cg.h
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min_fire.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_fire.h
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min_hftn.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_hftn.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-07-29 14:28:58 +00:00
min_linesearch.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_linesearch.h
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min_quickmin.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_quickmin.h
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min_sd.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
min_sd.h
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minimize.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
minimize.h Adding error checks for Kokkos-incompatible features 2016-01-28 23:32:16 +00:00
modify.cpp source code formatting cleanups 2018-06-18 17:00:23 -04:00
modify.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
molecule.cpp require that box is defined before molecule command is issued 2018-06-15 17:40:14 -04:00
molecule.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
mpiio.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-02-17 15:56:48 +00:00
my_page.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
my_pool_chunk.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
nbin.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
nbin.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
nbin_standard.cpp move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00
nbin_standard.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
neigh_list.cpp move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00
neigh_list.h Remove the now unused AIRct_ssa[] array from the NeighList class. 2017-11-03 13:42:36 -05:00
neigh_request.cpp remove faulty line of code, left in by accident 2018-01-16 14:10:46 -05:00
neigh_request.h whitespace cleanup 2018-03-15 21:57:45 -04:00
neighbor.cpp move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00
neighbor.h move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00
npair.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_copy.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_copy.h new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_full_bin.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_full_bin.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_full_bin_atomonly.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_full_bin_atomonly.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_full_bin_ghost.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_full_bin_ghost.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_full_multi.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_full_multi.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_full_nsq.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_full_nsq.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_full_nsq_ghost.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_full_nsq_ghost.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_bin_atomonly_newton.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
npair_half_bin_atomonly_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_bin_newtoff.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_bin_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_bin_newtoff_ghost.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_bin_newtoff_ghost.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_bin_newton.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_bin_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_bin_newton_tri.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_bin_newton_tri.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_multi_newtoff.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_multi_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_multi_newton.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_multi_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_multi_newton_tri.cpp bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 2017-05-16 15:51:41 -06:00
npair_half_multi_newton_tri.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_nsq_newtoff.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_nsq_newtoff_ghost.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_half_nsq_newtoff_ghost.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_nsq_newton.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
npair_half_nsq_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_respa_bin_newtoff.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_respa_bin_newton.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_respa_bin_newton_tri.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_half_respa_bin_newton_tri.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_respa_nsq_newtoff.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_half_respa_nsq_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_respa_nsq_newton.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_half_respa_nsq_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_size_bin_newtoff.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_half_size_bin_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_size_bin_newton.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_half_size_bin_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_size_bin_newton_tri.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_half_size_bin_newton_tri.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_size_nsq_newtoff.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_half_size_nsq_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_half_size_nsq_newton.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_half_size_nsq_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_halffull_newtoff.cpp Tweak to npair_halffull_newtoff.cpp 2018-01-16 16:43:25 -07:00
npair_halffull_newtoff.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_halffull_newton.cpp Only include ghosts for newton off, since this style exists as a standalone build, but the newton on method doesn't 2018-01-12 16:10:42 -07:00
npair_halffull_newton.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_skip.cpp new SNAP potential for W 2017-02-21 15:49:21 -07:00
npair_skip.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_skip_respa.cpp Moved some stuff around. 2017-10-26 12:25:55 -04:00
npair_skip_respa.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_skip_size.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_skip_size.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_skip_size_off2on.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_skip_size_off2on.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
npair_skip_size_off2on_oneside.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
npair_skip_size_off2on_oneside.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
nstencil.cpp move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h 2018-05-09 23:46:09 -04:00
nstencil.h USER-DPD: SSA with Kokkos: make stencil's sx, sy, sz variables public 2017-02-22 15:08:21 -05:00
nstencil_full_bin_2d.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_bin_2d.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_bin_3d.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_full_bin_3d.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_ghost_bin_2d.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_2d.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_ghost_bin_3d.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_full_ghost_bin_3d.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_multi_2d.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_full_multi_2d.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_full_multi_3d.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_full_multi_3d.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newtoff.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_half_bin_2d_newtoff.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_2d_newton_tri.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_half_bin_2d_newton_tri.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newtoff.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_half_bin_3d_newtoff.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_bin_3d_newton_tri.cpp major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_half_bin_3d_newton_tri.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_2d_newtoff.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_2d_newtoff.h major neighbor list style whitespace cleanup 2017-05-30 17:04:48 -04:00
nstencil_half_ghost_bin_3d_newtoff.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_ghost_bin_3d_newtoff.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newtoff.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newtoff.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton_tri.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_2d_newton_tri.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newtoff.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newtoff.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton.h new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton_tri.cpp new neighbor list changes 2016-09-07 13:42:58 -06:00
nstencil_half_multi_3d_newton_tri.h new neighbor list changes 2016-09-07 13:42:58 -06:00
ntopo.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
ntopo.h move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_angle_all.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_angle_all.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_angle_partial.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_angle_partial.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_angle_template.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_angle_template.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_bond_all.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_bond_all.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_bond_partial.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_bond_partial.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_bond_template.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_bond_template.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_dihedral_all.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_dihedral_all.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_dihedral_partial.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_dihedral_partial.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_dihedral_template.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_dihedral_template.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_improper_all.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_improper_all.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_improper_partial.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_improper_partial.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
ntopo_improper_template.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
ntopo_improper_template.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
output.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
output.h fix gcmc updates from Aidan, trimming of output for replica commands 2017-04-11 08:35:09 -06:00
pack.h remove deprecated 'register' keyword. closes #922 2018-05-18 17:43:18 -04:00
pair.cpp change error->all to error->warning on pair style restartinfo bug 2018-06-01 16:13:05 -04:00
pair.h document restartinfo bug message, add check to Pair::write_restart as well 2018-05-31 19:02:03 -04:00
pair_beck.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_beck.h
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pair_born.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_born.h
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pair_born_coul_dsf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_born_coul_dsf.h pair style born/coul/dsf added with its coreshell version 2016-11-08 11:32:38 +01:00
pair_born_coul_wolf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_born_coul_wolf.h
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pair_buck.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_buck.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-02-04 22:14:27 +00:00
pair_buck_coul_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_buck_coul_cut.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +00:00
pair_coul_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_coul_cut.h Fixing a few bugs in Kokkos 2015-02-23 23:45:29 +00:00
pair_coul_debye.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_coul_debye.h
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pair_coul_dsf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_coul_dsf.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
pair_coul_streitz.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_coul_streitz.h replace leading tabs 2018-03-16 12:34:33 -04:00
pair_coul_wolf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_coul_wolf.h
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pair_dpd.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_dpd.h
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pair_dpd_tstat.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_dpd_tstat.h
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pair_gauss.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_gauss.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
pair_hybrid.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_hybrid.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_hybrid_overlay.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_hybrid_overlay.h Merge branch 'master' into USER-DPD_kokkos as of patch 21Feb17 2017-02-22 11:29:01 -05:00
pair_lj96_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj96_cut.h Moved some stuff around. 2017-10-26 12:25:55 -04:00
pair_lj_cubic.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cubic.h
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pair_lj_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cut.h Moved some stuff around. 2017-10-26 12:25:55 -04:00
pair_lj_cut_coul_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cut_coul_cut.h Fixing a few bugs in Kokkos 2015-02-23 23:45:29 +00:00
pair_lj_cut_coul_debye.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cut_coul_debye.h
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pair_lj_cut_coul_dsf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cut_coul_dsf.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-10-30 20:04:06 +00:00
pair_lj_cut_coul_wolf.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_cut_coul_wolf.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
pair_lj_expand.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_expand.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +00:00
pair_lj_gromacs.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_gromacs.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +00:00
pair_lj_gromacs_coul_gromacs.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_gromacs_coul_gromacs.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-27 13:41:29 +00:00
pair_lj_smooth.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_smooth.h
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pair_lj_smooth_linear.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_lj_smooth_linear.h alias pair style lj/sf to lj/smooth/linear and remove/update related files 2017-06-06 17:26:06 -04:00
pair_mie_cut.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_mie_cut.h Moved some stuff around. 2017-10-26 12:25:55 -04:00
pair_morse.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_morse.h remove trailing whitespace 2018-03-16 12:37:27 -04:00
pair_soft.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_soft.h
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pair_table.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_table.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
pair_ufm.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_ufm.h whitespace cleanup 2018-03-15 21:57:45 -04:00
pair_yukawa.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_yukawa.h Undid the removal of rad in pair_yukawa. 2017-11-17 15:07:59 -05:00
pair_zbl.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_zbl.h Add Kokkos versions of pair_style snap and zbl 2018-01-09 17:03:49 -07:00
pair_zero.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
pair_zero.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
pointers.h Make memory_kokkos its own class 2017-12-01 09:13:31 -07:00
procmap.cpp fix bug in procmap Comm::MULTIPLE import 2018-05-10 00:02:12 -04:00
procmap.h
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python.cpp implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them. 2017-05-11 22:39:08 -04:00
python.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
random_mars.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
random_mars.h
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random_park.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
random_park.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-04-22 15:55:54 +00:00
rcb.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
rcb.h whitespace cleanup 2018-03-15 21:57:45 -04:00
read_data.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
read_data.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
read_dump.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
read_dump.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
read_restart.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
read_restart.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
reader.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
reader.h
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reader_native.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
reader_native.h
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reader_xyz.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
reader_xyz.h
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region.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region.h cleanup embedded or trailing tabs 2018-03-16 13:21:54 -04:00
region_block.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_block.h new fix wall/gran/region command, REBO bug fix, new example log files 2016-10-06 15:47:41 -06:00
region_cone.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_cone.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
region_cylinder.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_cylinder.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
region_intersect.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_intersect.h bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting 2016-10-13 16:55:53 -06:00
region_plane.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_plane.h
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region_prism.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_prism.h new fix wall/gran/region command, REBO bug fix, new example log files 2016-10-06 15:47:41 -06:00
region_sphere.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_sphere.h Spelling fixes in source files 2017-03-05 18:30:39 -05:00
region_union.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
region_union.h bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting 2016-10-13 16:55:53 -06:00
replicate.cpp move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class 2018-05-10 00:50:20 -04:00
replicate.h
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rerun.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
rerun.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-03-23 23:30:50 +00:00
reset_ids.cpp need to update exclusions with the new atom IDs in case of molecular systems 2018-07-11 07:22:47 -04:00
reset_ids.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
respa.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
respa.h default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes 2018-02-22 07:53:58 -05:00
run.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
run.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
set.cpp source code formatting cleanups 2018-06-18 17:00:23 -04:00
set.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
special.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
special.h change ring communication API to no longer require a static variable pointing to 'this' of the caller 2017-06-14 17:01:06 -04:00
suffix.h changes to imbalance weight factors 2016-10-05 10:33:39 -06:00
thermo.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
thermo.h move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
timer.cpp revert <cstdint> back to <stdint.h> as the former seems to require C++-11 2018-04-27 18:25:30 -04:00
timer.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
universe.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
universe.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
update.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
update.h changes to imbalance weight factors 2016-10-05 10:33:39 -06:00
variable.cpp Variable style 'string' substitutes variables in definition 2018-06-14 13:10:08 +02:00
variable.h Variable style 'string' substitutes variables in definition 2018-06-14 13:10:08 +02:00
velocity.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
velocity.h add placeholders to include files for error messges 2018-04-03 17:48:31 -06:00
verlet.cpp remove redundant statement 2018-06-18 16:50:24 -04:00
verlet.h default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes 2018-02-22 07:53:58 -05:00
version.h patch 29Jun18 2018-06-30 08:03:24 -06:00
write_coeff.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
write_coeff.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
write_data.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
write_data.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
write_dump.cpp replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
write_dump.h git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-07-15 21:29:44 +00:00
write_restart.cpp move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it 2018-05-09 18:11:31 -04:00
write_restart.h replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00