| .. |
|
ASPHERE
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
BODY
|
fix wrong column size assignment bug when using optional arguments in some local computes
|
2019-04-03 15:15:40 -04:00 |
|
CLASS2
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -04:00 |
|
COLLOID
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
COMPRESS
|
port dump_modify maxfiles option to COMPRESS and MPIIO package
|
2018-05-10 23:44:27 -04:00 |
|
CORESHELL
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
DEPEND
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
DIPOLE
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
GPU
|
use ev_init for kspace
|
2019-03-13 17:55:30 +01:00 |
|
GRANULAR
|
while space and source formatting cleanup
|
2019-04-29 09:17:29 -04:00 |
|
KIM
|
silence some more compiler warnings
|
2019-04-06 17:23:37 -04:00 |
|
KOKKOS
|
Don't reallocate views every time in neigh_bond_kokkos
|
2019-05-24 11:27:09 -06:00 |
|
KSPACE
|
make sure r3inv is initialized when lj and coul cutoff are different
|
2019-04-27 14:51:37 -04:00 |
|
LATTE
|
use ev_init for fixes
|
2019-03-13 17:50:10 +01:00 |
|
MAKE
|
Merge branch 'master' of github.com:lammps/lammps into gran_mods
|
2018-12-18 13:41:38 -07:00 |
|
MANYBODY
|
align USER-INTEL versions of REBO/AIREBO with MANYBODY implementation
|
2019-05-04 20:08:34 -04:00 |
|
MC
|
detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit
|
2019-05-31 00:31:36 -04:00 |
|
MESSAGE
|
reduce compiler warnings
|
2019-04-02 23:44:00 -04:00 |
|
MISC
|
detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit
|
2019-05-31 00:31:36 -04:00 |
|
MOLECULE
|
equilibrium angle must be converted to radians in angle style table
|
2019-04-29 10:09:33 -04:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
PERI
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
POEMS
|
remove trailing blanks
|
2018-12-01 21:38:22 -05:00 |
|
PYTHON
|
fix python package issue updating the time stamp on the wrong file
|
2019-04-26 15:52:56 -04:00 |
|
QEQ
|
make fix qeq/shielded fully compatible with pair style reax/c as a replacement for fix qeq/reax
|
2019-01-31 13:49:05 +01:00 |
|
REPLICA
|
dead code removal
|
2019-04-04 16:51:59 -04:00 |
|
RIGID
|
silence compiler warnings
|
2019-04-05 16:52:03 -04:00 |
|
SHOCK
|
Fix unused params in packages (#1076)
|
2018-08-24 10:42:08 -06:00 |
|
SNAP
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
SPIN
|
Commit JT 051319
|
2019-05-13 16:59:39 -06:00 |
|
SRD
|
consistent formating: replace "} else{" with "} else {"
|
2018-12-29 12:35:01 -05:00 |
|
STUBS
|
provide alternative to gettimeofday() for MSVC compilation
|
2019-05-29 20:13:26 -04:00 |
|
USER-ADIOS
|
plug small memory leak in USER-ADIOS
|
2019-03-01 09:37:33 -05:00 |
|
USER-ATC
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
USER-AWPMD
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-BOCS
|
fix a memory leak in fix bocs
|
2019-03-07 15:11:33 -05:00 |
|
USER-CGDNA
|
Homogenised label of relative hbond and stk strength to conform with oxDNA literature
|
2019-05-02 16:48:41 +01:00 |
|
USER-CGSDK
|
use ev_init for angles
|
2019-03-13 17:51:41 +01:00 |
|
USER-COLVARS
|
Update Colvars library to version 2019-04-26
|
2019-04-30 13:46:37 -04:00 |
|
USER-DIFFRACTION
|
fix new[]/delete mismatches and a memory leak in USER-DIFFRACTION package
|
2018-12-07 05:51:02 -05:00 |
|
USER-DPD
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-DRUDE
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-EFF
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-FEP
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -04:00 |
|
USER-H5MD
|
silence compiler warning about unused parameter
|
2018-11-28 22:20:42 -05:00 |
|
USER-INTEL
|
USER-INTEL: Changes to support LAMMPS_BIGBIG in USER-INTEL + fixed check for per-atom virials + fixed check for exclusion with offload.
|
2019-05-13 05:02:46 -07:00 |
|
USER-LB
|
consistent formatting: replace '}else' with '} else'
|
2018-12-29 14:50:26 -05:00 |
|
USER-MANIFOLD
|
USER-MANIFOLD: Use TAGINT_FORMAT where appropriate
|
2019-04-04 15:52:57 +03:00 |
|
USER-MEAMC
|
guard against extracting too many elements from the MEAM library into the statically sized arrays
|
2019-04-06 16:23:10 -04:00 |
|
USER-MESO
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-MGPT
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-MISC
|
bond/react: update error messages
|
2019-05-30 23:27:23 -06:00 |
|
USER-MOFFF
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -04:00 |
|
USER-MOLFILE
|
dead code removal and compiler warning silencing
|
2019-02-13 07:42:25 -05:00 |
|
USER-NETCDF
|
MAINT: Replaced special character with a space.
|
2019-01-23 11:29:49 +01:00 |
|
USER-OMP
|
remove dead code
|
2019-05-15 14:53:51 -04:00 |
|
USER-PHONON
|
fix some leftover bigint conversions, groupmap construction
|
2019-03-13 14:05:46 +01:00 |
|
USER-PLUMED
|
fix storage size for internal compute ids in fix plumed
|
2019-01-31 02:55:37 -05:00 |
|
USER-PTM
|
fix another windows portability issue in USER-PTM by adding missing header include
|
2019-04-01 08:11:22 -04:00 |
|
USER-QMMM
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
USER-QTB
|
Fix unused params in packages (#1076)
|
2018-08-24 10:42:08 -06:00 |
|
USER-QUIP
|
whitespace cleanup
|
2019-05-29 14:42:18 -04:00 |
|
USER-REAXC
|
provide alternative to gettimeofday() for MSVC compilation
|
2019-05-29 20:13:26 -04:00 |
|
USER-SCAFACOS
|
use ev_init for kspace
|
2019-03-13 17:55:30 +01:00 |
|
USER-SDPD
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-SMD
|
USER-SMD: Use TAGINT_FORMAT where appropriate
|
2019-04-04 15:53:00 +03:00 |
|
USER-SMTBQ
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -04:00 |
|
USER-SPH
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
USER-TALLY
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
USER-UEF
|
dead code removal and compiler warning silencing
|
2019-02-13 07:42:25 -05:00 |
|
USER-VTK
|
replace faulty preprocessor logic
|
2018-11-09 01:08:57 -05:00 |
|
USER-YAFF
|
use ev_init for bonds
|
2019-03-13 17:54:10 +01:00 |
|
VORONOI
|
silence some compiler warnings
|
2019-04-06 17:03:40 -04:00 |
|
.gitignore
|
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
|
2019-05-30 06:34:56 -04:00 |
|
Depend.sh
|
first commit: added SDPD
|
2018-10-30 17:40:00 +03:30 |
|
Install.sh
|
update dependencies for USER-CGSDK package. make script permissions consistent
|
2018-05-09 16:13:54 -04:00 |
|
Make.sh
|
add support for creating packages_*.h files in conventional make
|
2019-04-07 20:52:15 -04:00 |
|
Makefile
|
advance warning message about collecting styles and packages info to an earlier slot in the process
|
2019-06-05 14:32:02 -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
|
…
|
|
|
Package.sh
|
update dependencies for USER-CGSDK package. make script permissions consistent
|
2018-05-09 16:13:54 -04:00 |
|
Purge.list
|
add support for creating packages_*.h files in conventional make
|
2019-04-07 20:52:15 -04:00 |
|
accelerator_kokkos.h
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
accelerator_omp.h
|
Fix USER-OMP compilation with CMake
|
2018-08-27 22:11:15 -04:00 |
|
angle.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
angle.h
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
angle_deprecated.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
angle_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
angle_hybrid.cpp
|
use ev_init for angles
|
2019-03-13 17:51:41 +01:00 |
|
angle_hybrid.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
angle_zero.cpp
|
use ev_init for angles
|
2019-03-13 17:51:41 +01:00 |
|
angle_zero.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
atom.cpp
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
atom.h
|
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
|
2019-05-30 06:34:56 -04:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
atom_vec_body.cpp
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
atom_vec_body.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
atom_vec_ellipsoid.cpp
|
correct cut-n-paste error
|
2019-02-17 15:00:04 -05:00 |
|
atom_vec_ellipsoid.h
|
make nlocal_bonus accessible
|
2019-02-17 17:14:01 -05:00 |
|
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
|
correct cut-n-paste error
|
2019-02-17 15:00:04 -05:00 |
|
atom_vec_line.h
|
make nlocal_bonus accessible
|
2019-02-17 17:14:01 -05:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
atom_vec_tri.cpp
|
correct cut-n-paste error
|
2019-02-17 15:00:04 -05:00 |
|
atom_vec_tri.h
|
make nlocal_bonus accessible
|
2019-02-17 17:14:01 -05:00 |
|
balance.cpp
|
bug fix for tiled communication at cutoffs near box size
|
2019-03-27 15:51:10 -06:00 |
|
balance.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
body.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
bond_deprecated.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
bond_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
bond_hybrid.cpp
|
use ev_init for bonds
|
2019-03-13 17:54:10 +01:00 |
|
bond_hybrid.h
|
modify bond style hybrid, so it can handle bond style quartic as a sub-style
|
2018-11-12 16:06:55 -05:00 |
|
bond_zero.cpp
|
use ev_init for bonds
|
2019-03-13 17:54:10 +01:00 |
|
bond_zero.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
change_box.cpp
|
port documentation spelling fixes to comments or strings in source code.
|
2018-11-19 16:15:24 -05:00 |
|
change_box.h
|
port documentation spelling fixes to comments or strings in source code.
|
2018-11-19 16:15:24 -05:00 |
|
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
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
comm.h
|
remove trailing whitespace
|
2019-03-26 11:17:21 -04:00 |
|
comm_brick.cpp
|
fix corner-case issue with hyper communication, also timer
|
2019-03-18 09:52:16 -06:00 |
|
comm_brick.h
|
bond/react: efficient competing reactions
|
2018-09-04 22:06:49 -06:00 |
|
comm_tiled.cpp
|
bug fix for tiled communication at cutoffs near box size
|
2019-03-27 15:51:10 -06:00 |
|
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_adf.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
compute_adf.h
|
remove trailing whitespace
|
2018-11-30 08:00:08 -05:00 |
|
compute_aggregate_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
remove trailing whitespace
|
2019-03-29 11:37:26 -04:00 |
|
compute_angle_local.h
|
add variable option to compute bond/angle/dihedral local
|
2018-09-04 14:48:44 -06:00 |
|
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
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
compute_bond_local.h
|
add variable option to compute bond/angle/dihedral local
|
2018-09-04 14:48:44 -06:00 |
|
compute_centro_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_centro_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_chunk_atom.cpp
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
compute_chunk_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_chunk_spread_atom.cpp
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
compute_chunk_spread_atom.h
|
avoid class initialization order warnings
|
2018-09-10 22:32:56 -04:00 |
|
compute_cluster_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_cluster_atom.h
|
add new compute fragment/atom
|
2017-08-18 19:07:32 -04:00 |
|
compute_cna_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_contact_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_coord_atom.cpp
|
there really isn't a problem with calling this compute multiple times
|
2019-05-17 15:26:35 -04:00 |
|
compute_coord_atom.h
|
there really isn't a problem with calling this compute multiple times
|
2019-05-17 15:26:35 -04:00 |
|
compute_deprecated.cpp
|
add DEPRECATED compute style
|
2018-10-17 16:05:10 -04:00 |
|
compute_deprecated.h
|
add DEPRECATED compute style
|
2018-10-17 16:05:10 -04:00 |
|
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
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
compute_dihedral_local.h
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
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
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_fragment_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
implement some examples for using the utils::strmatch() function and use it for inexact Force::pair_match()
|
2019-02-01 12:23:06 +01:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_hexorder_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
fix wrong column size assignment bug when using optional arguments in some local computes
|
2019-04-03 15:15:40 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_orientorder_atom.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_pair.cpp
|
fix stupid typo
|
2018-10-08 17:26:21 +02:00 |
|
compute_pair.h
|
Extend compute pair to handle multiple instances of a given pair style
|
2018-10-05 20:34:12 +02:00 |
|
compute_pair_local.cpp
|
fix wrong column size assignment bug when using optional arguments in some local computes
|
2019-04-03 15:15:40 -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
|
Removed unnecessary changes to ComputePressure
|
2018-12-12 17:48:02 -07:00 |
|
compute_pressure.h
|
Removed unnecessary changes to ComputePressure
|
2018-12-12 17:48:02 -07:00 |
|
compute_property_atom.cpp
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
compute_property_atom.h
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_property_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_rdf.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
compute_rdf.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
compute_reduce.cpp
|
revert broken changes to compute reduce
|
2019-02-14 16:22:52 -05:00 |
|
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_chunk.cpp
|
detect missing initialization and run it instead of crashing with a non-descript segfault
|
2018-12-12 16:39:27 -05:00 |
|
compute_reduce_chunk.h
|
remove trailing whitespace
|
2018-11-30 08:00:08 -05:00 |
|
compute_reduce_region.cpp
|
removed dead code and reduce compiler warnings about unused parameters
|
2019-02-03 11:36:41 -05:00 |
|
compute_reduce_region.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_temp_com.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_deform.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_temp_deform.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_partial.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
compute_temp_ramp.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_region.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
rendevous comm option for special bonds and fix rigid/small
|
2019-03-26 11:01:33 -04:00 |
|
create_atoms.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
create_bonds.cpp
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
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
|
port documentation spelling fixes to comments or strings in source code.
|
2018-11-19 16:15:24 -05:00 |
|
delete_atoms.cpp
|
fix copy-n-modify error
|
2019-02-17 18:51:15 -05:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
deprecated.cpp
|
silence compiler warnings about initialization order and unused args
|
2018-10-31 00:34:58 -04:00 |
|
deprecated.h
|
make default style name for deprecated styles uppercase, so it is considered internal
|
2018-10-17 16:04:52 -04:00 |
|
dihedral.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
dihedral.h
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
dihedral_deprecated.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
dihedral_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
dihedral_hybrid.cpp
|
use ev_init for dihedrals
|
2019-03-13 17:53:22 +01:00 |
|
dihedral_hybrid.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
dihedral_zero.cpp
|
use ev_init for dihedrals
|
2019-03-13 17:53:22 +01:00 |
|
dihedral_zero.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
displace_atoms.cpp
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
displace_atoms.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
domain.cpp
|
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
|
2019-05-30 06:34:56 -04:00 |
|
domain.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
dump.cpp
|
add missing convesion to fractional coordinates and back for enforced PBC dumps of triclinic cells
|
2019-03-25 12:25:50 -04:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
Fix logic warnings (#1076)
|
2018-08-23 10:08:36 -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_deprecated.cpp
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
dump_deprecated.h
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
dump_image.cpp
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
dump_image.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_local.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
…
|
|
|
dump_xyz.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
dump_xyz.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
error.cpp
|
flushing buffer to see more messages for error->one calls
|
2019-04-18 15:55:21 -06:00 |
|
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
|
more specific style matching for kspace
|
2019-02-01 12:23:06 +01:00 |
|
finish.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix.cpp
|
make certain that *_freq flags are initialized. use -1 instead of 0 to avoid division by zero
|
2018-09-10 22:47:45 -04:00 |
|
fix.h
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
fix_adapt.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_adapt.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_addforce.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_addforce.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_atom.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Merge pull request #1108 from akohlmey/fix-sprintf-buffer-overflows
|
2018-09-18 16:57:10 -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
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -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
|
small whitespace cleanup
|
2019-03-28 13:02:14 -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
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
bug fix for tiled communication at cutoffs near box size
|
2019-03-27 15:51:10 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
fix_deform.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_deprecated.cpp
|
make default style name for deprecated styles uppercase, so it is considered internal
|
2018-10-17 16:04:52 -04:00 |
|
fix_deprecated.h
|
make default style name for deprecated styles uppercase, so it is considered internal
|
2018-10-17 16:04:52 -04:00 |
|
fix_drag.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_dt_reset.h
|
Limit atom energy change in fix dt/reset
|
2018-05-28 10:57:40 +03:00 |
|
fix_enforce2d.cpp
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -04:00 |
|
fix_enforce2d.h
|
Forgot to include change in fix_enforce2d to access fixlist in kokkos port.
|
2018-06-29 11:58:27 -04:00 |
|
fix_external.cpp
|
use ev_init for fixes
|
2019-03-13 17:50:10 +01:00 |
|
fix_external.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_gravity.cpp
|
Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
|
2018-10-10 10:43:54 -06:00 |
|
fix_gravity.h
|
Porting fix gravity to Kokkos.
|
2018-07-03 11:21:54 -04:00 |
|
fix_group.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
fix_group.h
|
add extract to fix_group
|
2018-04-24 22:53:54 -06:00 |
|
fix_halt.cpp
|
use min_post_force() method to hook fix halt into minimization
|
2018-10-19 14:08:25 -04:00 |
|
fix_halt.h
|
use min_post_force() method to hook fix halt into minimization
|
2018-10-19 14:08:25 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
remove warning messages when using 'tally yes zero yes' with fix langevin
|
2019-02-14 18:54:59 +09:00 |
|
fix_langevin.h
|
remove warning messages when using 'tally yes zero yes' with fix langevin
|
2019-02-14 18:54:59 +09:00 |
|
fix_lineforce.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_lineforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_minimize.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_minimize.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
fix_move.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
fix_neigh_history.cpp
|
cosmetic reformatting of new GRANULAR files
|
2019-03-27 16:58:14 -06:00 |
|
fix_neigh_history.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nh.cpp
|
Removed unnecessary changes to ComputePressure
|
2018-12-12 17:48:02 -07:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_npt.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
fix_npt.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_nve.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve_limit.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_nve_noforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve_sphere.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nvt_sllod.cpp
|
use more accurate strncmp() check instead of strstr() and apply the same change to all affected variants of fix nvt/sllod
|
2018-12-12 00:02:06 -05:00 |
|
fix_nvt_sllod.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_planeforce.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_planeforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_press_berendsen.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_press_berendsen.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_print.cpp
|
support using a variable instead of a constant interval for fix print
|
2019-05-04 13:47:57 -04:00 |
|
fix_print.h
|
support using a variable instead of a constant interval for fix print
|
2019-05-04 13:47:57 -04:00 |
|
fix_property_atom.cpp
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_read_restart.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_recenter.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
fix_restrain.h
|
forgot to reduce energies
|
2018-05-08 10:46:41 +02:00 |
|
fix_setforce.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_spring_chunk.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_spring_rg.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_store_force.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_store_state.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
…
|
|
|
fix_tmd.cpp
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
fix_vector.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_viscous.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
…
|
|
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_wall_region.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
force.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
group.cpp
|
silence compiler warnings
|
2019-04-05 16:52:03 -04:00 |
|
group.h
|
enable more correct natoms computation when atoms are lost
|
2018-08-07 15:05:07 -06:00 |
|
hashlittle.cpp
|
the GCC folks did it again. :-(
|
2019-04-05 08:00:04 -04:00 |
|
hashlittle.h
|
rendevous comm option for special bonds and fix rigid/small
|
2019-03-26 11:01:33 -04:00 |
|
image.cpp
|
Use LMP_UNUSED_PARAM macro instead of existing workarounds
|
2018-08-27 22:36:38 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
re-order ev_init() and ev_setup() so that 'init' comes before 'setup' as requested by @sjplimp
|
2019-03-25 11:31:23 -04:00 |
|
improper_deprecated.cpp
|
remove some more trailing whitespace
|
2018-12-01 08:14:02 -05:00 |
|
improper_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
improper_hybrid.cpp
|
use ev_init for impropers
|
2019-03-13 17:50:50 +01:00 |
|
improper_hybrid.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
improper_zero.cpp
|
use ev_init for impropers
|
2019-03-13 17:50:50 +01:00 |
|
improper_zero.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
info.cpp
|
more accurate matching of styles using utils::strmatch()
|
2019-04-04 17:10:27 -04:00 |
|
info.h
|
add OpenMP version detection and info output
|
2019-02-12 11:28:52 -05:00 |
|
input.cpp
|
also allow %e in format variables of suffix
|
2019-05-30 14:52:26 -04:00 |
|
input.h
|
also allow %e in format variables of suffix
|
2019-05-30 14:52:26 -04:00 |
|
integrate.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
fix 32-bit/64-bit overflow issue in expression
|
2019-04-04 09:01:39 -04:00 |
|
irregular.h
|
added rendezvous via all2all
|
2019-03-26 11:01:38 -04:00 |
|
kspace.cpp
|
Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent
|
2019-06-05 01:10:44 -04:00 |
|
kspace.h
|
Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent
|
2019-06-05 01:10:44 -04:00 |
|
kspace_deprecated.cpp
|
fix some typos caused by trusting emacs' smart case-preserving replace too much
|
2018-10-19 16:11:13 -04:00 |
|
kspace_deprecated.h
|
fix some typos caused by trusting emacs' smart case-preserving replace too much
|
2018-10-19 16:11:13 -04:00 |
|
lammps.cpp
|
turn off only variable tracking and make people wait again
|
2019-06-06 14:44:28 -04:00 |
|
lammps.h
|
add code to allow reporting which styles are part of what package
|
2019-04-07 20:55:00 -04:00 |
|
lattice.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
lattice.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
library.cpp
|
give access to LAMMPS object and wrap in macros for optional exception handling
|
2019-04-02 11:49:08 -04:00 |
|
library.h
|
resolve portability issues to windows w.r.t. fixed width integer types
|
2018-10-16 13:49:06 -04:00 |
|
lmppython.cpp
|
rename python.h to lmppython.h and correspondingly python.cpp to lmppython.cpp
|
2019-02-04 14:24:53 -05:00 |
|
lmppython.h
|
rename python.h to lmppython.h and correspondingly python.cpp to lmppython.cpp
|
2019-02-04 14:24:53 -05:00 |
|
lmptype.h
|
apply fix for merge sort from issue #1163 by @jtfrey and re-enable it
|
2018-10-23 08:57:33 -04:00 |
|
lmpwindows.h
|
fix typo
|
2019-05-30 18:36:09 -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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
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
|
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
|
2019-04-01 17:51:53 -04:00 |
|
memory.h
|
silence compiler warnings
|
2019-04-05 16:52:03 -04:00 |
|
mergesort.h
|
apply fix for merge sort from issue #1163 by @jtfrey and re-enable it
|
2018-10-23 08:57:33 -04:00 |
|
min.cpp
|
Commit JT 032519
|
2019-03-25 12:57:42 -06:00 |
|
min.h
|
Commit JT 032519
|
2019-03-25 12:57:42 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_fire.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
min_fire.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_quickmin.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
min_quickmin.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_sd.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
min_sd.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
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
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
modify.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
molecule.cpp
|
use snprintf() in a bunch of cases to avoid overflowing fixed size buffers with unchecked strings
|
2018-09-06 02:57:53 -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
|
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
|
2019-04-01 17:51:53 -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
|
Change default binsize for Kokkos if running on GPUs
|
2019-03-12 15:33:28 -06:00 |
|
neighbor.h
|
Change default binsize for Kokkos if running on GPUs
|
2019-03-12 15:33:28 -06:00 |
|
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
|
Merge pull request #1419 from akohlmey/report-uninstalled-pkg-style
|
2019-05-30 06:34:56 -04:00 |
|
output.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
pack.h
|
more changes to doc pages and CMakeLists.txt
|
2018-08-14 15:44:25 -06:00 |
|
pair.cpp
|
Merge branch 'master' into gran_mods
|
2019-03-28 11:46:44 -04:00 |
|
pair.h
|
Merge branch 'master' into gran_mods
|
2019-03-28 11:46:44 -04:00 |
|
pair_beck.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_beck.h
|
…
|
|
|
pair_born.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_born.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_born_coul_dsf.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_born_coul_wolf.h
|
…
|
|
|
pair_buck.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_coul_cut.h
|
Fixing a few bugs in Kokkos
|
2015-02-23 23:45:29 +00:00 |
|
pair_coul_debye.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_coul_debye.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_coul_dsf.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_coul_streitz.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_coul_wolf.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_coul_wolf.h
|
…
|
|
|
pair_deprecated.cpp
|
whitespace cleanup
|
2018-12-11 23:14:43 -05:00 |
|
pair_deprecated.h
|
add reax to DEPRECATED pair style and state when it was removed from LAMMPS
|
2018-12-10 12:11:56 -05:00 |
|
pair_dpd.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_dpd.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_dpd_tstat.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_dpd_tstat.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_gauss.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_gauss.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_hybrid.cpp
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -04:00 |
|
pair_hybrid.h
|
pair style deprecated now functional and compatible with hybrid pair styles
|
2018-10-04 12:18:28 +02:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_lj96_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cubic.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_lj_cubic.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_cut.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_lj_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cut_coul_cut.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_lj_cut_coul_debye.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_cut_coul_dsf.cpp
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -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
|
Set Coulomb summation cutoff radii in the case it is explicitly specified.
|
2019-03-29 10:02:15 +01:00 |
|
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
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -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
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -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
|
Merge pull request #1374 from akohlmey/collected-small-fixes
|
2019-03-25 13:15:45 -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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_lj_smooth.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_smooth_linear.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_mie_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_morse.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_morse.h
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_soft.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_soft.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_table.cpp
|
minor whitespace cleanup commit to retrigger PR tests on github
|
2019-03-26 16:43:09 -04:00 |
|
pair_table.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_ufm.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_ufm.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
pair_yukawa.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_yukawa.h
|
Undid the removal of rad in pair_yukawa.
|
2017-11-17 15:07:59 -05:00 |
|
pair_zbl.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
pair_zbl.h
|
Add Kokkos versions of pair_style snap and zbl
|
2018-01-09 17:03:49 -07:00 |
|
pair_zero.cpp
|
use ev_unset for all pair styles
|
2019-03-13 17:49:16 +01:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
random_mars.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
random_mars.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
formatting: add additional space to avoid bad syntax highlights
|
2018-08-27 22:13:43 -04:00 |
|
rcb.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
read_data.cpp
|
avoid segfault and print more meaningful error message with empty lines in coeff sections
|
2019-05-20 14:15:04 -04:00 |
|
read_data.h
|
avoid segfault and print more meaningful error message with empty lines in coeff sections
|
2019-05-20 14:15:04 -04:00 |
|
read_dump.cpp
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
read_dump.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
read_restart.cpp
|
replace STL map with atom->map in special, better code comments
|
2019-03-26 11:01:37 -04:00 |
|
read_restart.h
|
Merge remote-tracking branch 'github/read-dump-parallel' into collected-post-stable-patches
|
2018-12-03 15:28:34 -05:00 |
|
reader.cpp
|
make 2 copy of old read_dump and rerun for comparison to new
|
2018-10-26 17:31:42 -06:00 |
|
reader.h
|
…
|
|
|
reader_native.cpp
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
reader_native.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
reader_xyz.cpp
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
reader_xyz.h
|
…
|
|
|
region.cpp
|
consistent formatting: adjust cases of "dangling else", add curly braces
|
2018-12-29 14:47:50 -05:00 |
|
region.h
|
cleanup embedded or trailing tabs
|
2018-03-16 13:21:54 -04:00 |
|
region_block.cpp
|
consistent formatting: adjust cases of "dangling else", add curly braces
|
2018-12-29 14:47:50 -05:00 |
|
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
|
consistent formatting: adjust cases of "dangling else", add curly braces
|
2018-12-29 14:47:50 -05:00 |
|
region_cylinder.h
|
support variables for more region properties
|
2018-12-13 14:06:12 -05:00 |
|
region_deprecated.cpp
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
region_deprecated.h
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
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
|
support variables for more region properties
|
2018-12-13 14:06:12 -05:00 |
|
region_sphere.h
|
support variables for more region properties
|
2018-12-13 14:06:12 -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
|
rendevous comm option for special bonds and fix rigid/small
|
2019-03-26 11:01:33 -04:00 |
|
replicate.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
rerun.cpp
|
add parallel file read capability to ReadDump
|
2018-10-26 17:37:50 -06:00 |
|
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
|
Fix more unused parameter warnings (#1076)
|
2018-08-23 12:22:44 -06:00 |
|
reset_ids.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
respa.cpp
|
more accurate matching of styles using utils::strmatch()
|
2019-04-04 17:10:27 -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
|
update global bonus data counters
|
2019-02-17 18:50:35 -05:00 |
|
set.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
special.cpp
|
avoid segfault in Special::angle_trim() if only angles or only dihedrals are defined
|
2019-04-04 09:13:18 -04:00 |
|
special.h
|
remove trailing whitespace
|
2019-03-26 11:17:21 -04:00 |
|
suffix.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
thermo.cpp
|
refactoring of global and local hyper, including amended doc pages
|
2019-03-01 18:47:34 -07:00 |
|
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
|
silence compiler warning about singed vs. unsigned
|
2018-11-28 22:23:09 -05:00 |
|
universe.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
update.cpp
|
bug fix for compute cluster/atom when computing values used to update a dynamic group
|
2018-08-08 09:31:16 -06:00 |
|
update.h
|
bug fix for compute cluster/atom when computing values used to update a dynamic group
|
2018-08-08 09:31:16 -06:00 |
|
utils.cpp
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
utils.h
|
add code to allow reporting which styles are part of what package
|
2019-04-07 20:55:00 -04:00 |
|
variable.cpp
|
fix off-by-one error
|
2019-05-31 14:38:12 -04:00 |
|
variable.h
|
also allow %e in format variables of suffix
|
2019-05-30 14:52:26 -04:00 |
|
velocity.cpp
|
more accurate matching of styles using utils::strmatch()
|
2019-04-04 17:10:27 -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
|
use 3 letters for month only
|
2019-06-03 22:52:40 -04:00 |
|
write_coeff.cpp
|
change write_coeff to use utils:sfgets()
|
2019-02-02 10:20:49 -05:00 |
|
write_coeff.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
write_data.cpp
|
add warning when writing incomplete data file due to bonus data
|
2019-02-27 14:57:25 -05:00 |
|
write_data.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
write_dump.cpp
|
apply new utility function to most places creating new styles
|
2019-04-07 21:18:20 -04:00 |
|
write_dump.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
write_restart.cpp
|
modify restart changes, so it stays backward compatible and does not result in unexpected behavior when reading old restarts. also use consistent naming conventions for enum entries
|
2018-10-05 09:47:47 +02:00 |
|
write_restart.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
e2391edce6