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Axel Kohlmeyer 9a90803b23 Merge pull request #2984 from lammps/delete-atoms-porosity-group 
Add new group arg for delete_atoms porosity
2021-12-02 16:07:49 -05:00
..
ADIOS
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
ASPHERE
format changes
2021-09-17 22:50:15 -04:00
ATC
fix copy-n-paste error
2021-07-29 13:58:27 -04:00
AWPMD
refactor loops using (auto var : container) syntax
2021-10-20 21:58:31 -04:00
BOCS
use emplace_back() instead of push_back()
2021-10-14 01:31:48 -04:00
BODY
format changes
2021-09-17 22:50:15 -04:00
BROWNIAN
Fix Brownian noise scale factor
2021-10-13 14:51:58 -05:00
CG-DNA
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
CG-SDK
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
CLASS2
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
COLLOID
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
COLVARS
use portable functions from platform and utils namespaces
2021-10-07 12:22:16 -04:00
COMPRESS
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
CORESHELL
a few remaining updates to include statements
2021-09-18 16:36:44 -04:00
DEPEND
add clang-format support for fastdep tool
2021-05-05 23:46:26 -04:00
DIELECTRIC
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
DIFFRACTION
Replace strcasecmp()
2021-10-06 20:43:56 -05:00
DIPOLE
apply clang-format to packages
2021-08-23 21:06:33 -04:00
DPD-BASIC
New package DPD-BASIC with pair styles dpd, dpd/tstat, dpd/ext, dpd/ext/tstat
2021-07-01 00:51:55 -04:00
DPD-MESO
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
DPD-REACT
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
DPD-SMOOTH
format changes
2021-09-17 22:50:15 -04:00
DRUDE
replace replicated functionality with shared code in base class
2021-11-16 13:53:52 -05:00
EFF
remove redundant void arguments
2021-10-12 21:17:46 -04:00
EXTRA-COMPUTE
correct uninitialized data access bug due to shadowing of a base class member
2021-11-16 10:46:09 -05:00
EXTRA-DUMP
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
EXTRA-FIX
Merge branch 'develop' into more-clang-tidy-refactoring
2021-10-27 15:23:57 -04:00
EXTRA-MOLECULE
apply clang-format
2021-10-01 00:58:38 -04:00
EXTRA-PAIR
use portable logic operators
2021-10-07 12:23:17 -04:00
FEP
apply utils::logical() in more places
2021-09-21 14:15:02 -04:00
fmt
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
GPU
Cleaned up comments in fix_gpu.cpp
2021-11-20 08:38:13 -06:00
GRANULAR
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
H5MD
Merge branch 'master' into parse-logical-keyword
2021-09-29 23:05:59 -04:00
INTEL
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
INTERLAYER
fix a couple more bugs like in 5246cedda6
2021-10-05 10:36:25 -04:00
KIM
refactor loops using (auto var : container) syntax
2021-10-20 21:58:31 -04:00
KOKKOS
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-31 18:25:42 -04:00
KSPACE
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
LATBOLTZ
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
LATTE
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
MACHDYN
fix segfault when using atom style smd as part of a hybrid style
2021-11-16 21:48:33 -05:00
MAKE
update all makefiles to use DYN_LIB variable from master makefile
2021-10-27 17:41:16 -04:00
MANIFOLD
Merge branch 'develop' into more-clang-tidy-refactoring
2021-10-27 15:23:57 -04:00
MANYBODY
refactor loops using (auto var : container) syntax
2021-10-20 21:58:31 -04:00
MC
whitespace, pointer initializer, and permission fixes
2021-10-13 19:17:42 -04:00
MDI
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
MEAM
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
MESONT
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
MESSAGE
more iwyu header updates
2021-09-18 21:24:01 -04:00
MGPT
use preprocessor
2021-10-26 06:37:59 -04:00
MISC
convert some more styles to use the new APIs
2021-10-17 19:19:23 -04:00
ML-HDNNP
a few more converted commands and updates for unit tests
2021-09-21 17:23:41 -04:00
ML-IAP
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
ML-PACE
Merge branch 'master' into feature/ml-pace-multispecies
2021-10-13 17:34:29 +02:00
ML-QUIP
reformat with clang-format
2021-07-20 19:36:44 -04:00
ML-RANN
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
ML-SNAP
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
MOFFF
remove dead code
2021-09-16 00:11:53 -04:00
MOLECULE
refactor fix cmap to use current style and modernized parsing
2021-10-28 16:54:53 -04:00
MOLFILE
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
MPIIO
cosmetic
2021-09-25 10:42:52 -04:00
MSCG
Merge branch 'master' into parse-logical-keyword
2021-09-29 23:05:59 -04:00
NETCDF
use portable logic operators
2021-10-07 12:23:17 -04:00
OPENMP
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
OPT
use nullptr instead of NULL or 0 where applicable
2021-10-12 21:47:02 -04:00
ORIENT
Use portable logical operators
2021-10-06 20:44:27 -05:00
PERI
fix memory leaks
2021-10-18 07:11:55 -04:00
PHONON
rename "zip" functions to "compress" functions. update related docs
2021-10-07 12:38:11 -04:00
PLUGIN
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
PLUMED
make use of platform::putenv()
2021-10-04 22:39:43 -04:00
POEMS
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
PTM
apply clang-format
2021-10-26 06:41:00 -04:00
PYTHON
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
QEQ
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
QMMM
catch up on previous clang-tidy refactor for files that were skipped before
2021-10-13 23:59:43 -04:00
QTB
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
REACTION
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
REAXFF
Merge branch 'develop' into collected_small_changes
2021-11-02 14:41:16 -04:00
REPLICA
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
RIGID
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
SCAFACOS
allow using kspace_style scafacos for molecular systems under certain conditions
2021-08-19 05:00:11 -04:00
SHOCK
final chunk of changes to apply utils::logical()
2021-09-23 07:30:40 -04:00
SMTBQ
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
SPH
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
SPIN
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
SRD
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
STUBS
make consistent with include files
2021-10-08 15:33:26 -04:00
TALLY
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
UEF
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
VORONOI
apply utils::logical() in more places
2021-09-21 14:15:02 -04:00
VTK
port dump vtk to correctly support custom per-atom arrays and fix some bugs
2021-10-17 10:58:33 -04:00
YAFF
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
.clang-format
switch to 100 chars columnwidth and apply clang-format to a few .cpp files
2021-05-11 22:11:41 -04:00
.gitignore
refactor PERI package pair styles to use new accessors and to increase code sharing
2021-10-18 06:47:01 -04:00
accelerator_kokkos.h
Remove unused function
2021-06-25 10:32:54 -06:00
accelerator_omp.h
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
angle_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_hybrid.cpp
reformat with clang-format
2021-08-02 15:25:01 -04:00
angle_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
angle.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
arg_info.cpp
update formatting in src folder with clang-format
2021-08-23 20:46:09 -04:00
arg_info.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_map.cpp
Add atom_map hash option for Kokkos package
2021-06-28 08:38:31 -06:00
atom_map.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_masks.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_atomic.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_atomic.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_body.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
atom_vec_body.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_charge.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_charge.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_ellipsoid.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_ellipsoid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_hybrid.cpp
simplify/optimize code
2021-09-15 16:23:07 -04:00
atom_vec_hybrid.h
Removed virtual keyword, defined internal variable
2021-07-15 17:32:19 +01:00
atom_vec_line.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_line.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec.cpp
fix cut-n-paste bug in AtomVec class
2021-06-22 13:14:24 -04:00
atom_vec.h
update formatting in src folder with clang-format
2021-08-23 20:46:09 -04:00
atom.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
atom.h
change check for reset image flags to print messages only once per data file
2021-10-13 21:54:18 -04:00
balance.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
balance.h
apply fix from balance command to fix balance
2021-09-17 22:52:58 -04:00
body.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
body.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_hybrid.cpp
reformat with clang-format
2021-08-02 15:25:01 -04:00
bond_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond.cpp
integrate platform sub-namespace into source code and documentation
2021-10-02 16:55:11 -04:00
bond.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
change_box.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
change_box.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
citeme.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
citeme.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm_brick.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
comm_brick.h
Whitespace
2021-08-30 14:57:59 -06:00
comm_tiled.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
comm_tiled.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
comm.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
comm.h
consolidate binary() member functions of Comm and Balance into utils::binary_search()
2021-09-06 16:58:14 -04:00
command.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_aggregate_atom.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
compute_aggregate_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_angle_local.cpp
silence compiler warnings
2021-09-29 14:04:01 -04:00
compute_angle_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angmom_chunk.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
compute_angmom_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond_local.cpp
Fix issue where direction correction in compute bond/local might not have been correct
2021-11-20 14:34:24 +01:00
compute_bond_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centro_atom.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute_centro_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_centroid_stress_atom.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
compute_centroid_stress_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_atom.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
compute_chunk_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_spread_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_chunk_spread_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_cluster_atom.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
compute_cluster_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_cna_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_cna_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_coord_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_coord_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral_local.cpp
remove unused variable
2021-09-16 22:58:42 -04:00
compute_dihedral_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
compute_dipole.h
new compute dipole command
2021-06-22 11:57:29 -04:00
compute_displace_atom.cpp
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -04:00
compute_displace_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_fragment_atom.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
compute_fragment_atom.h
move some more computes from EXTRA-COMPUTE back to src because of dependencies
2021-07-27 12:07:27 -04:00
compute_global_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_global_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_group_group.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute_group_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_heat_flux.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_heat_flux.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_inertia_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_inertia_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd_chunk.cpp
refactor/simplify code due to changes in Modify
2021-08-07 10:09:06 -04:00
compute_msd_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_msd.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute_msd.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_omega_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_omega_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_orientorder_atom.cpp
plug memory leaks
2021-10-15 16:59:53 -04:00
compute_orientorder_atom.h
move compute orientorder/atom because compute coord/atom depends on it
2021-07-27 11:16:40 -04:00
compute_pair_local.cpp
Fix issue where direction correction in compute pair/local might not have been correct
2021-11-19 08:08:07 +01:00
compute_pair_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pair.cpp
reformat
2021-07-21 22:00:27 -04:00
compute_pair.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pe.cpp
reformat
2021-06-16 08:40:40 -04:00
compute_pe.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_pressure.cpp
simplify and modernize code a little
2021-09-15 23:15:14 -04:00
compute_pressure.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_atom.cpp
update code
2021-08-18 18:06:21 -04:00
compute_property_atom.h
update formatting in src folder with clang-format
2021-08-23 20:46:09 -04:00
compute_property_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_local.cpp
NULL -> nullptr, and coding style updates
2021-07-03 15:50:09 -04:00
compute_property_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_rdf.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_rdf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_reduce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_slice.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_slice.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_stress_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_stress_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_chunk.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute_temp_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_com.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_deform.cpp
simplify and modernize code a little
2021-09-15 23:15:14 -04:00
compute_temp_deform.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_profile.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_profile.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_ramp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_ramp.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_sphere.cpp
simplify and modernize code a little
2021-09-15 23:15:14 -04:00
compute_temp_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_torque_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_torque_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vacf.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
compute_vacf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vcm_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vcm_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_atoms.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
create_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_bonds.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
create_bonds.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_box.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_box.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_atoms.cpp
whitespace
2021-12-02 15:30:53 -05:00
delete_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_bonds.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_bonds.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Depend.sh
add missing package dependency
2021-07-28 18:45:09 -04:00
deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_hybrid.cpp
reformat with clang-format
2021-08-02 15:25:01 -04:00
dihedral_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
displace_atoms.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
displace_atoms.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
domain.cpp
fix index error
2021-10-31 19:46:37 -04:00
domain.h
implement Domain::get_region_by_id()
2021-10-28 23:24:38 -04:00
dump_atom.cpp
Merge branch 'master' into parse-logical-keyword
2021-09-29 23:05:59 -04:00
dump_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_cfg.cpp
calling fwrite() with a null pointer causes undefined behavior. avoid it.
2021-09-25 10:18:55 -04:00
dump_cfg.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_custom.cpp
fix bugs related to custom per-atom properties in dump style custom
2021-10-17 10:57:16 -04:00
dump_custom.h
update formatting in src folder with clang-format
2021-08-23 20:46:09 -04:00
dump_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_image.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
dump_image.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_local.cpp
calling fwrite() with a null pointer causes undefined behavior. avoid it.
2021-09-25 10:18:55 -04:00
dump_local.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_movie.cpp
port dump movie to platform namespace
2021-10-06 14:08:45 -04:00
dump_movie.h
port dump movie to platform namespace
2021-10-06 14:08:45 -04:00
dump_xyz.cpp
cosmetic
2021-09-25 10:42:52 -04:00
dump_xyz.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
dump.h
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
error.cpp
silence compiler warning on windows
2021-10-06 16:49:48 -04:00
error.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
exceptions.h
use 'noexcept' instead of the deprecated 'throw()'
2021-10-12 21:29:33 -04:00
Fetch.sh
…
file_writer.h
use 'noexcept' instead of the deprecated 'throw()'
2021-10-12 21:29:33 -04:00
finish.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
finish.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_adapt.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_adapt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_atom.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_ave_atom.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_chunk.cpp
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_chunk.h
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_correlate.cpp
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_correlate.h
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_histo_weight.cpp
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_histo_weight.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_ave_histo.cpp
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_histo.h
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_ave_time.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
fix_ave_time.h
use platform functions for averaging fixes
2021-10-04 18:13:46 -04:00
fix_aveforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_balance.cpp
apply fix from balance command to fix balance
2021-09-17 22:52:58 -04:00
fix_balance.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_box_relax.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_box_relax.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deform.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_deform.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deposit.cpp
we may call ->set_molecule() only in MOLECULE mode
2021-11-05 16:27:58 -04:00
fix_deposit.h
use updated APIs
2021-10-28 23:25:04 -04:00
fix_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dt_reset.cpp
in floating point math a*b may be zero even if both a>0 and b>0
2021-09-24 16:43:07 -04:00
fix_dt_reset.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_efield.cpp
ensure that fix efield is initialized before accessing its data.
2021-10-11 15:06:24 -04:00
fix_efield.h
move chi field calculation to fix qeq/reaxff
2021-10-11 14:35:23 -04:00
fix_enforce2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_evaporate.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_evaporate.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_external.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_external.h
make contribution to global virial compatible with pf/array mode
2021-07-21 00:25:32 -04:00
fix_gravity.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
fix_gravity.h
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
fix_group.cpp
Merge branch 'master' into collected-small-changes
2021-08-23 21:44:21 -04:00
fix_group.h
resolved merge conflicts with master
2021-08-17 11:55:33 -06:00
fix_halt.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_halt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_langevin.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_langevin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_move.cpp
dead code removal
2021-09-17 22:53:59 -04:00
fix_move.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_neigh_history.cpp
cosmetic changes
2021-09-15 16:08:53 -04:00
fix_neigh_history.h
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
fix_nh_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_nh.h
Fixed bug in fix np[ht] with runstyle respa
2021-07-18 12:48:05 -03:00
fix_nph_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_noforce.cpp
move back to src for dependencies
2021-07-27 15:53:35 -04:00
fix_nve_noforce.h
move back to src for dependencies
2021-07-27 15:53:35 -04:00
fix_nve_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sllod.cpp
a few more (final?) IWYU updates
2021-09-19 09:41:23 -04:00
fix_nvt_sllod.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
fix_nvt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_print.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_print.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_property_atom.cpp
add mechanism to check for known data file section names
2021-10-28 14:23:27 -04:00
fix_property_atom.h
change style to styles to remove override of fix->style string
2021-08-26 15:20:52 -06:00
fix_read_restart.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_read_restart.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_recenter.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_recenter.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_respa.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_respa.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_restrain.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_restrain.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_self.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_spring_self.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_state.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_store_state.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_store.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_thermal_conductivity.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_thermal_conductivity.h
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_vector.cpp
fix indexing bug
2021-10-31 18:10:32 -04:00
fix_vector.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_viscous.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_viscous.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_harmonic.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_harmonic.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj126.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj126.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj1043.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj1043.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_morse.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_morse.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_wall.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix.h
apply clang-format
2021-08-27 19:56:33 -04:00
fmtlib_format.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
fmtlib_os.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
force.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
force.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
gridcomm.cpp
silence compiler warnings, remove dead code, and do some reformatting
2021-08-27 20:22:29 -04:00
gridcomm.h
apply clang-format
2021-08-27 19:56:33 -04:00
group.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
hashlittle.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
hashlittle.h
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
image.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
image.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_group.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_group.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_neigh.cpp
skip using neighbor list load balancing weight when using KOKKOS with GPU
2021-07-28 21:30:06 -04:00
imbalance_neigh.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_store.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_store.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_time.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_time.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance_var.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_var.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
imbalance.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_hybrid.cpp
reformat with clang-format
2021-08-02 15:25:01 -04:00
improper_hybrid.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
info.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
info.h
allow single precision FFT introspection
2021-10-15 20:03:39 -04:00
input.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
input.h
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
Install.sh
…
integrate.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
integrate.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
irregular.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
irregular.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kspace_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kspace_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kspace.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
kspace.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
lammps.cpp
add function to print information about available compressions tools
2021-10-26 20:00:55 -04:00
lammps.h
add -skiprun command line flag that sets a timeout so that run and minimizations loops are skipped
2021-09-03 11:21:42 -04:00
lammpsplugin.h
make compatible with C
2021-10-01 15:24:59 -04:00
lattice.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
lattice.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
library.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
library.h
treat Py_Finalize() more like MPI_Finalize()
2021-09-04 13:53:51 -04:00
lmppython.cpp
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
lmppython.h
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
lmprestart.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
lmptype.h
including lmpwindows.h globally from lmptype.h does more harm than good
2021-09-07 10:39:16 -04:00
lmpwindows.h
remove stuff that is incompatible with recent MSVC compilers
2021-09-07 00:59:16 -04:00
main.cpp
silence warning
2021-10-06 17:44:57 -04:00
Make.sh
…
Makefile
link with -ldl except on Windows for dlopen/dlclose/dlsym support
2021-10-13 22:47:25 -04:00
Makefile.list
…
Makefile.package.empty
…
Makefile.package.settings.empty
…
Makefile.print
…
math_const.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
math_eigen_impl.h
cosmetic changes
2021-09-15 16:08:53 -04:00
math_eigen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
math_eigen.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
math_extra.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
math_extra.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
math_special.cpp
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
math_special.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
memory.cpp
update defines from -DLMP_USER-<PKG> to -DLMP_<PKG> for consistency
2021-08-06 14:07:43 -04:00
memory.h
cosmetic changes for consistency
2021-09-07 19:12:59 -04:00
min_cg.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_cg.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire_old.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire_old.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_hftn.cpp
remove redundant void arguments
2021-10-12 21:17:46 -04:00
min_hftn.h
remove redundant void arguments
2021-10-12 21:17:46 -04:00
min_linesearch.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
min_linesearch.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_quickmin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_quickmin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_sd.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_sd.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
min.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
minimize.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
modify.cpp
fix logic bug
2021-10-31 19:29:12 -04:00
modify.h
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
molecule.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
molecule.h
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
mpiio.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
my_page.cpp
apply clang-format
2021-09-07 14:20:26 -04:00
my_page.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
my_pool_chunk.cpp
use more reasonable install prefix when compiling natively on Windows
2021-09-07 15:05:17 -04:00
my_pool_chunk.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin_multi.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nbin_multi.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin_standard.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
nbin_standard.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
neigh_list.cpp
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
neigh_list.h
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
neigh_request.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
neigh_request.h
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
neighbor.cpp
Merge branch 'master' into parse-logical-keyword
2021-09-29 23:05:59 -04:00
neighbor.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin_atomonly.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin_atomonly.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin_ghost.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin_ghost.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_multi_old.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_multi_old.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_multi.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_full_multi.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_nsq_ghost.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_nsq_ghost.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_nsq.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_nsq.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_atomonly_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_atomonly_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newtoff_ghost.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newtoff_ghost.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newton_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_bin_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_newtoff.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_newton_tri.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_newton.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_multi_old_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newtoff_ghost.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newtoff_ghost.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_nsq_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newton_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_bin_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_nsq_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_nsq_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_nsq_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_respa_nsq_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newton_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_bin_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_newtoff.cpp
format changes
2021-09-17 22:50:15 -04:00
npair_half_size_multi_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_newton_tri.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_size_multi_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_newton.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_size_multi_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_old_newtoff.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
npair_half_size_multi_old_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_old_newton_tri.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
npair_half_size_multi_old_newton_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_multi_old_newton.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
npair_half_size_multi_old_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_nsq_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_nsq_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_nsq_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_half_size_nsq_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newtoff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newton.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_respa.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_respa.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size_off2on_oneside.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size_off2on_oneside.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size_off2on.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size_off2on.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_bin_2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_bin_2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_bin_3d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_bin_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_ghost_bin_2d.cpp
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2021-05-24 14:18:20 -04:00
nstencil_full_ghost_bin_2d.h
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2021-05-24 14:18:20 -04:00
nstencil_full_ghost_bin_3d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_ghost_bin_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_multi_2d.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_full_multi_2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_multi_3d.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_full_multi_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_multi_old_2d.cpp
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2021-05-24 14:18:20 -04:00
nstencil_full_multi_old_2d.h
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2021-05-24 14:18:20 -04:00
nstencil_full_multi_old_3d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_multi_old_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_2d_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_2d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_3d_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_3d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_3d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_bin_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_2d_tri.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_half_multi_2d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_2d.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_half_multi_2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_3d_tri.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_half_multi_3d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_3d.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil_half_multi_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_2d_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_2d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_2d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_3d_tri.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_3d_tri.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_3d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_half_multi_old_3d.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
nstencil.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_all.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_template.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_all.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_template.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_all.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_template.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_all.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_partial.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_template.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
omp_compat.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
output.cpp
format changes
2021-09-17 22:50:15 -04:00
output.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pack.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Package.sh
make "make package-update" and "make package-overwrite" less verbose
2021-09-27 18:01:37 -04:00
pair_born.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_born.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_buck_coul_cut.cpp
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
pair_buck_coul_cut.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_buck.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_buck.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_cut.cpp
initialize scale array
2021-08-21 20:30:38 -04:00
pair_coul_cut.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_debye.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_debye.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_dsf.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_dsf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_wolf.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_wolf.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_hybrid_overlay.cpp
make sure the one_coeff flag is applied to sub-styles
2021-09-28 04:39:46 -04:00
pair_hybrid_overlay.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_hybrid_scaled.cpp
make sure the one_coeff flag is applied to sub-styles
2021-09-28 04:39:46 -04:00
pair_hybrid_scaled.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_hybrid.cpp
report how many pair_coeff settings parameters were generated from mixing
2021-11-19 13:43:32 -05:00
pair_hybrid.h
allow using kspace_style scafacos for molecular systems under certain conditions
2021-08-19 05:00:11 -04:00
pair_lj_cut_coul_cut.cpp
update/correct extract function
2021-08-21 20:31:02 -04:00
pair_lj_cut_coul_cut.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_cut.cpp
apply clang-format to pair_lj_cut.cpp so it can serve as example
2021-09-01 20:08:06 -04:00
pair_lj_cut.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_expand.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_expand.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_morse.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_morse.h
need to make this functions virtual since they are overridded by morse/soft
2021-07-19 01:02:52 -04:00
pair_soft.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_soft.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_table.cpp
silence compiler warning on windows
2021-10-06 16:49:48 -04:00
pair_table.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_yukawa.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_yukawa.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zbl_const.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zbl.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zbl.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zero.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair.cpp
report how many pair_coeff settings parameters were generated from mixing
2021-11-19 13:43:32 -05:00
pair.h
report how many pair_coeff settings parameters were generated from mixing
2021-11-19 13:43:32 -05:00
platform.cpp
implement and use a platform neutral abstraction of unsetenv(3)
2021-11-03 10:53:45 -04:00
platform.h
implement and use a platform neutral abstraction of unsetenv(3)
2021-11-03 10:53:45 -04:00
pointers.h
remove default class members except for the assignment copy constructor
2021-10-12 21:17:00 -04:00
potential_file_reader.cpp
reformat with clang-format
2021-07-20 18:31:52 -04:00
potential_file_reader.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
procmap.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
procmap.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
Purge.list
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
random_mars.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
random_mars.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
random_park.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
random_park.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
rcb.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
rcb.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
read_data.cpp
add mechanism to check for known data file section names
2021-10-28 14:23:27 -04:00
read_data.h
add mechanism to check for known data file section names
2021-10-28 14:23:27 -04:00
read_dump.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
read_dump.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
read_restart.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
read_restart.h
modernize and simplify code to find best matching restart file
2021-07-29 17:25:42 -04:00
reader_native.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reader_native.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reader_xyz.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reader_xyz.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reader.cpp
rename "zip" functions to "compress" functions. update related docs
2021-10-07 12:38:11 -04:00
reader.h
use platform code for reading/writing of compressed text file via a pipe
2021-10-06 15:04:48 -04:00
region_block.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_block.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_cone.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_cone.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_cylinder.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region_cylinder.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_deprecated.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_intersect.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_intersect.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_plane.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_plane.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_prism.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_prism.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_sphere.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region_sphere.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_union.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_union.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
replicate.cpp
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
replicate.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
rerun.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
rerun.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reset_atom_ids.cpp
some applications of the new function
2021-09-19 19:05:40 -04:00
reset_atom_ids.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reset_mol_ids.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
reset_mol_ids.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
respa.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
respa.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
run.cpp
some applications of the new function
2021-09-19 19:05:40 -04:00
run.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
set.cpp
whitespace fixes
2021-08-18 13:06:00 -04:00
set.h
resolved merge conflicts with master
2021-08-17 11:55:33 -06:00
special.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
special.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
suffix.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
table_file_reader.cpp
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
table_file_reader.h
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
tabular_function.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
tabular_function.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
text_file_reader.cpp
use call-by-value with std::move() function
2021-10-14 01:30:18 -04:00
text_file_reader.h
use call-by-value with std::move() function
2021-10-14 01:30:18 -04:00
thermo.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
thermo.h
move data type enum to header so it can be used in dump netcdf
2021-07-18 17:41:14 -04:00
timer.cpp
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
timer.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
tokenizer.cpp
use call-by-value with std::move() function
2021-10-14 01:30:18 -04:00
tokenizer.h
remove parser_error exception class ambiguity completely
2021-10-23 04:24:54 -04:00
universe.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
universe.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
update.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
update.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
utils.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
utils.h
add uppercase string utility function (for symmetry)
2021-10-07 00:00:33 -04:00
variable.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
variable.h
make VALUELENGTH constant consistent.
2021-09-04 12:41:52 -04:00
velocity.cpp
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
velocity.h
new accessor APIs for fixes and computes in Modify plus a few applications
2021-10-16 06:00:28 -04:00
verlet.cpp
add missing assignment
2021-11-05 16:19:19 -04:00
verlet.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
version.h
update version strings for next patch release
2021-10-27 15:26:58 -04:00
write_coeff.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
write_coeff.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
write_data.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
write_data.h
simplify using new APIs
2021-10-24 18:00:15 -04:00
write_dump.cpp
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
write_dump.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
write_restart.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
write_restart.h
format changes
2021-09-17 22:50:15 -04:00