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fd348f3a81f8b9f6e43173f3a38a256999923e0c
lammps/src
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phankl fd348f3a81 added bending buckling angle style cpp file
2022-04-12 15:28:32 +01:00
..
ADIOS
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
ASPHERE
update QEQ, ASPHERE, and KIM packages to use new neighbor list request API
2022-03-08 05:16:55 -05:00
ATC
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
AWPMD
add support for requesting SSA neighbor lists and update a few more styles
2022-03-08 06:17:13 -05:00
BOCS
silence compiler warnings
2022-02-13 18:19:50 -05:00
BODY
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
BROWNIAN
whitespace
2022-03-29 09:49:48 -04:00
CG-DNA
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
CG-SDK
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
CLASS2
Merge branch 'develop' into neigh-request-refactor
2022-03-15 11:39:45 -04:00
COLLOID
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
COLVARS
Apply override to more classes
2022-01-21 18:24:06 -05:00
COMPRESS
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
CORESHELL
rename reverse communication calls
2022-02-21 21:18:28 -05:00
DEPEND
add clang-format support for fastdep tool
2021-05-05 23:46:26 -04:00
DIELECTRIC
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
DIFFRACTION
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
DIPOLE
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
DPD-BASIC
convert more neighbor list requests to the new API
2022-03-08 12:39:05 -05:00
DPD-MESO
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
DPD-REACT
silence compiler warnings about unused variables
2022-03-18 18:09:24 -04:00
DPD-SMOOTH
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
DRUDE
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
EFF
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
EXTRA-COMPUTE
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
EXTRA-DUMP
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
EXTRA-FIX
silence warnings from coverity scan
2022-03-25 05:30:01 -04:00
EXTRA-MOLECULE
remove dead code
2022-03-20 00:41:26 -04:00
EXTRA-PAIR
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
FEP
update programming style to latest conventions, enable and apply clang-format
2022-03-28 16:26:55 -04:00
fmt
update to fmtlib-8.1.1
2022-01-06 18:31:15 -05:00
GPU
convert GPU package styles to use new neighbor list request API
2022-03-08 04:37:46 -05:00
GRANULAR
silence warnings from coverity scan
2022-03-25 05:30:01 -04:00
H5MD
Apply override to more classes
2022-01-21 16:58:32 -05:00
INTEL
automatically enable intel neighbor list request property for intel pair styles
2022-03-09 21:19:19 -05:00
INTERLAYER
another chunk of neighbor list request updates
2022-03-09 19:49:08 -05:00
KIM
avoid converting a null pointer to a std::string and correct error check
2022-03-28 15:07:23 -04:00
KOKKOS
Fuse loops
2022-03-28 14:43:16 -06:00
KSPACE
bugfix
2022-03-10 01:00:34 -05:00
LATBOLTZ
check for sufficient number of arguments in command line
2022-03-18 06:02:38 -04:00
LATTE
programming style updates use newer/simpler APIs
2022-03-09 19:21:03 -05:00
MACHDYN
update and simplify parsing of STL mesh using LAMMPS utilities
2022-03-23 18:41:17 -04:00
MAKE
Add -DNDEBUG to Kokkos Makefiles
2022-01-19 10:19:50 -07:00
MANIFOLD
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
MANYBODY
update settings
2022-03-23 15:15:51 -04:00
MC
Merge branch 'develop' into neigh-request-refactor
2022-03-15 11:39:45 -04:00
MDI
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
MEAM
Merge branch 'develop' into neigh-request-refactor
2022-03-15 11:39:45 -04:00
MESONT
added bending buckling angle style cpp file
2022-04-12 15:28:32 +01:00
MESSAGE
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
MGPT
another chunk of neighbor list request updates
2022-03-09 19:49:08 -05:00
MISC
another chunk of neighbor list request updates
2022-03-09 19:49:08 -05:00
ML-HDNNP
update neighbor list requests and compute style lookups in machine learning packages
2022-03-09 06:49:07 -05:00
ML-IAP
silence compiler warnings. avoid uninitialized access.
2022-03-18 20:02:49 -04:00
ML-PACE
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
ML-QUIP
update neighbor list requests and compute style lookups in machine learning packages
2022-03-09 06:49:07 -05:00
ML-RANN
update neighbor list requests and compute style lookups in machine learning packages
2022-03-09 06:49:07 -05:00
ML-SNAP
silence compiler warnings. avoid uninitialized access.
2022-03-18 20:02:49 -04:00
MOFFF
convert a few more styles to the new neighbor request API
2022-03-08 18:20:28 -05:00
MOLECULE
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
MOLFILE
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
MPIIO
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
MSCG
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
NETCDF
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
OPENMP
Merge branch 'develop' into neigh-request-refactor
2022-03-18 19:23:51 -04:00
OPT
rename reverse communication calls
2022-02-21 21:18:28 -05:00
ORIENT
apply new APIs to a few representative cases
2022-03-02 21:31:35 -05:00
PERI
convert a few more styles to the new neighbor request API
2022-03-08 18:20:28 -05:00
PHONON
use tokenizer in fix phonon
2022-03-20 21:54:58 -04:00
PLUGIN
reorder so that kspace follows improper and comes before compute
2022-03-28 15:12:25 -04:00
PLUMED
Apply override to more classes
2022-01-21 18:24:06 -05:00
POEMS
refactor and apply clang-format
2022-03-20 15:28:31 -04:00
PTM
convert a few more styles to the new neighbor request API
2022-03-08 18:20:28 -05:00
PYTHON
Merge branch 'develop' into mpi-stubs-simplify
2022-01-30 17:19:26 -05:00
QEQ
fix qeq/dynamic and qeq/fire need half neighbor list not full
2022-03-10 06:30:10 -05:00
QMMM
Apply override to remaining classes
2022-01-22 09:56:01 -05:00
QTB
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
REACTION
convert a few more styles to the new neighbor request API
2022-03-08 18:20:28 -05:00
REAXFF
fix typo
2022-03-29 11:54:34 -04:00
REPLICA
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
RIGID
must set boxflag *after* checking for rigid fix because we might change the box ourselves
2022-03-20 21:25:26 -04:00
SCAFACOS
Apply override to more classes
2022-01-21 18:24:06 -05:00
SHOCK
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
SMTBQ
convert to use LAMMPS' tokenizer and potential file reader classes
2022-03-22 17:59:53 -04:00
SPH
convert a few more styles to the new neighbor request API
2022-03-08 18:20:28 -05:00
SPIN
use tokenizer to read neb initial replica files
2022-03-22 20:54:42 -04:00
SRD
rename reverse communication calls
2022-02-21 21:18:28 -05:00
STUBS
add MPI_Group_free() support to STUBS
2022-03-22 21:54:36 -04:00
TALLY
rename reverse communication calls
2022-02-21 21:18:28 -05:00
UEF
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
VORONOI
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
VTK
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
YAFF
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
.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
Merge branch 'develop' into collected-small-changes
2022-03-07 15:29:47 -05:00
accelerator_kokkos.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
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
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_hybrid.cpp
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
angle_hybrid.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle_zero.cpp
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
angle_zero.h
Apply override to Angle classes
2022-01-20 17:53:38 -05:00
angle.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
angle.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
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
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
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
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
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
modernize/correct parsing for Bonus and Bodies sections
2021-12-30 22:58:14 -05:00
atom_vec_ellipsoid.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec_hybrid.cpp
simplify/optimize code
2021-09-15 16:23:07 -04:00
atom_vec_hybrid.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec_line.cpp
modernize/correct parsing for Bonus and Bodies sections
2021-12-30 22:58:14 -05:00
atom_vec_line.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
atom_vec_sphere.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec_tri.cpp
modernize/correct parsing for Bonus and Bodies sections
2021-12-30 22:58:14 -05:00
atom_vec_tri.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
atom_vec.cpp
modernize parsing of Velocities section of data files
2021-12-30 19:14:09 -05:00
atom_vec.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
atom.cpp
simplify checking for intel neighbor list requests
2022-03-05 20:31:56 -05:00
atom.h
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
balance.cpp
Merge branch 'develop' into modify-fix-compute-accessors
2021-10-27 21:14:05 -04:00
balance.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
body.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
body.h
Apply override to Body classes
2022-01-18 14:56:44 -05:00
bond_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_deprecated.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_hybrid.cpp
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
bond_hybrid.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
bond_zero.h
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
bond.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
bond.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
change_box.cpp
Revert "before changing box settings, it must be initialized at least once"
2022-01-18 08:30:54 -05:00
change_box.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
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
Apply override to Command classes
2022-01-20 16:35:59 -05:00
comm_brick.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
comm_brick.h
apply clang-format
2022-02-21 22:12:13 -05:00
comm_tiled.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
comm_tiled.h
apply clang-format
2022-02-21 22:12:13 -05:00
comm.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
comm.h
rename reverse communication calls
2022-02-21 21:18:28 -05:00
command.h
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
compute_aggregate_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_aggregate_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_angle_local.cpp
silence compiler warnings
2021-09-29 14:04:01 -04:00
compute_angle_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_angle.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_angle.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
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
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_bond_local.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
compute_bond_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_bond.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_bond.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_centro_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_centro_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_centroid_stress_atom.cpp
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
compute_centroid_stress_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
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
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_chunk_spread_atom.cpp
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
compute_chunk_spread_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_cluster_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_cluster_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_cna_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_cna_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_com_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_com.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_coord_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_coord_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_deprecated.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_dihedral_local.cpp
remove unused variable
2021-09-16 22:58:42 -04:00
compute_dihedral_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_dihedral.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dihedral.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_dipole_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_dipole_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
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
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_displace_atom.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_displace_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
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
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_erotate_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_erotate_sphere.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
compute_fragment_atom.cpp
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
compute_fragment_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_global_atom.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_global_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_group_group.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_group_group.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_gyration_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_gyration.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_gyration.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_heat_flux.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_heat_flux.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_improper_local.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_improper.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_improper.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_inertia_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_inertia_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_ke_atom.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_ke.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_ke.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_msd_chunk.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_msd_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_msd.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_msd.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_omega_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_omega_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_orientorder_atom.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_orientorder_atom.h
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_pair_local.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_pair_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_pair.cpp
reformat
2021-07-21 22:00:27 -04:00
compute_pair.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_pe_atom.cpp
rename reverse communication calls
2022-02-21 21:18:28 -05:00
compute_pe_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_pe.cpp
reformat
2021-06-16 08:40:40 -04:00
compute_pe.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_pressure.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_pressure.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_property_atom.cpp
update code
2021-08-18 18:06:21 -04:00
compute_property_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_property_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_property_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_property_local.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
compute_property_local.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_rdf.cpp
adapt some more styles to use the new neighbor list request API
2022-03-08 15:27:37 -05:00
compute_rdf.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_reduce_chunk.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_reduce_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_reduce_region.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_reduce_region.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_reduce.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_reduce.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_slice.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_slice.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_stress_atom.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_stress_atom.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_chunk.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
compute_temp_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_com.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_com.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_deform.cpp
silence compiler warnings. avoid uninitialized access.
2022-03-18 20:02:49 -04:00
compute_temp_deform.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_partial.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_profile.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_profile.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_ramp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_ramp.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp_region.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp_sphere.cpp
simplify and modernize code a little
2021-09-15 23:15:14 -04:00
compute_temp_sphere.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_temp.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_temp.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_torque_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_torque_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_vacf.cpp
more use of modernized APIs
2022-03-16 15:24:42 -04:00
compute_vacf.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute_vcm_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
compute_vcm_chunk.h
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
compute.cpp
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
compute.h
make friends for access to instance_me member
2022-03-02 19:06:08 -05:00
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
Apply override to Command classes
2022-01-20 16:35:59 -05:00
create_bonds.cpp
clang-format
2022-03-06 05:24:29 -05:00
create_bonds.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
create_box.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
create_box.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
delete_atoms.cpp
apply new APIs to a few representative cases
2022-03-02 21:31:35 -05:00
delete_atoms.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
delete_bonds.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
delete_bonds.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
Depend.sh
Merge branch 'master' into OptimizedDynamicalMatrix
2022-01-28 11:08:31 -08:00
deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
deprecated.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
dihedral_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_deprecated.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_hybrid.cpp
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
dihedral_hybrid.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dihedral_zero.h
Apply override to Dihedral classes
2022-01-21 12:48:11 -05:00
dihedral.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
dihedral.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
displace_atoms.cpp
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
displace_atoms.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
domain.cpp
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
domain.h
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
dump_atom.cpp
Merge branch 'master' into parse-logical-keyword
2021-09-29 23:05:59 -04:00
dump_atom.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_cfg.cpp
reformat
2022-01-29 18:13:01 -05:00
dump_cfg.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_custom.cpp
use newer APIs to get access to fixes and computes
2022-03-18 13:16:18 -04:00
dump_custom.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
dump_deprecated.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
dump_image.cpp
use newer APIs to get access to fixes and computes
2022-03-18 13:16:18 -04:00
dump_image.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_local.cpp
silence compiler warnings. avoid uninitialized access.
2022-03-18 20:02:49 -04:00
dump_local.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_movie.cpp
port dump movie to platform namespace
2021-10-06 14:08:45 -04:00
dump_movie.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump_xyz.cpp
recover compilation
2021-12-23 14:34:49 -05:00
dump_xyz.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
dump.cpp
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
dump.h
Merge pull request #3090 from rbberger/modernize_use_override
2022-01-28 14:10:45 -05:00
error.cpp
Use utils::flush_buffers() in error.cpp and thermo.cpp
2022-02-04 18:00:47 -05:00
error.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
exceptions.h
Apply override to more classes
2022-01-21 16:58:32 -05:00
Fetch.sh
…
file_writer.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
finish.cpp
Merge branch 'develop' into thermo-refactor-plus-yaml
2022-03-19 21:55:18 -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
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_addforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_addforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_atom.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_atom.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_chunk.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_chunk.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_correlate.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_correlate.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_histo_weight.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_histo_weight.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_histo.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_histo.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_ave_time.cpp
remove check that is no longer needed
2021-12-09 18:08:43 -05:00
fix_ave_time.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_aveforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_aveforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_balance.cpp
update programming style
2022-01-21 15:56:58 -05:00
fix_balance.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_box_relax.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_box_relax.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_deform.cpp
Remove unused variable
2022-02-10 14:13:55 -05:00
fix_deform.h
Merge branch 'develop' into mpi-stubs-simplify
2022-01-30 17:19:26 -05:00
fix_deposit.cpp
we may call ->set_molecule() only in MOLECULE mode
2021-11-05 16:27:58 -04:00
fix_deposit.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_deprecated.cpp
more closely follow LAMMPS programming style conventions
2022-03-12 08:23:40 -05:00
fix_deprecated.h
add deprecated lb/fluid integrator fixes to fix_deprecated
2022-03-08 17:10:22 -05:00
fix_dt_reset.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
fix_dt_reset.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_dummy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_dummy.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_efield.cpp
ensure that fix efield is initialized before accessing its data.
2021-10-11 15:06:24 -04:00
fix_efield.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_enforce2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_enforce2d.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_evaporate.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_evaporate.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_external.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_external.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_gravity.cpp
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
fix_gravity.h
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
fix_group.cpp
Merge branch 'master' into collected-small-changes
2021-08-23 21:44:21 -04:00
fix_group.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_halt.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_halt.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_heat.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_heat.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_indent.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_indent.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_langevin.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_langevin.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_lineforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_lineforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_minimize.h
Apply override to KOKKOS classes up to this point
2022-01-19 14:26:25 -05:00
fix_momentum.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_momentum.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_move.cpp
remove redundant code
2022-01-14 14:55:13 -05:00
fix_move.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_neigh_history.cpp
no need to use default argument
2022-02-21 22:12:26 -05:00
fix_neigh_history.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nh_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nh_sphere.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nh.cpp
refactor thermo output processing and add new yaml thermo style
2022-03-19 16:39:09 -04:00
fix_nh.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nph_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph_sphere.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nph.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nph.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_npt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt_sphere.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_npt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_npt.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_limit.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve_limit.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_noforce.cpp
move back to src for dependencies
2021-07-27 15:53:35 -04:00
fix_nve_noforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve_sphere.cpp
remove dead code, silence compiler warnings
2021-12-23 01:32:31 -05:00
fix_nve_sphere.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nve.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nve.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_sllod.cpp
a few more (final?) IWYU updates
2021-09-19 09:41:23 -04:00
fix_nvt_sllod.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt_sphere.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt_sphere.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_nvt.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_nvt.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_planeforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_planeforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_press_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_press_berendsen.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_print.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_print.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
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
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
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
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_recenter.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_recenter.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_respa.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_respa.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_restrain.cpp
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
fix_restrain.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_setforce.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_setforce.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_spring_chunk.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring_chunk.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
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
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_spring.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_spring.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_store_force.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_store_force.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_store_state.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_store_state.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_store.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
fix_store.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_temp_berendsen.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_berendsen.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_temp_rescale.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_temp_rescale.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_thermal_conductivity.cpp
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
fix_thermal_conductivity.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_vector.cpp
fix indexing bug
2021-10-31 18:10:32 -04:00
fix_vector.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_viscous.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_viscous.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_harmonic.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_harmonic.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_lj93.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj93.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_lj126.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj126.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_lj1043.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_lj1043.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_morse.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_morse.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_reflect.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_reflect.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall_region.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
fix_wall_region.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix_wall.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix_wall.h
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
fix.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
fix.h
make friends for access to instance_me member
2022-03-02 19:06:08 -05:00
fmtlib_format.cpp
import fmtlib v8.1.0
2022-01-02 13:42:27 -05:00
fmtlib_os.cpp
import fmtlib v8.1.0
2022-01-02 13:42:27 -05:00
force.cpp
enable and apply clang-format
2022-02-11 18:04:46 -05:00
force.h
remove make factory function templates from class and make them static functions
2022-02-11 16:00:12 -05:00
gridcomm.cpp
silence compiler warnings, remove dead code, and do some reformatting
2021-08-27 20:22:29 -04:00
gridcomm.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
group.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
group.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
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
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
image.h
Apply override to Dump classes
2022-01-20 16:58:23 -05:00
imbalance_group.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_group.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
imbalance_neigh.cpp
silence compiler warnings about unused variables
2022-03-18 18:09:24 -04:00
imbalance_neigh.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
imbalance_store.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_store.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
imbalance_time.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_time.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
imbalance_var.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance_var.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
imbalance.cpp
format changes
2021-09-17 22:50:15 -04:00
imbalance.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
improper_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_deprecated.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_hybrid.cpp
simplify API of Force::store_style()
2022-01-20 16:48:44 -05:00
improper_hybrid.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
improper_zero.h
Apply override to Improper classes
2022-01-20 17:36:43 -05:00
improper.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
improper.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
info.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
info.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
input.cpp
add support for '-f' option to shell rm built-in command
2022-03-17 15:17:44 -04:00
input.h
convert one more factory template
2022-02-11 18:38:36 -05:00
Install.sh
…
integrate.cpp
recover failing unit tests and whitespace fixes
2021-12-23 15:22:58 -05:00
integrate.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
irregular.cpp
use accessor function to get and process list of fixes
2022-03-16 14:18:09 -04:00
irregular.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
kspace_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
kspace_deprecated.h
Apply override to KSpace classes
2022-01-20 17:14:33 -05:00
kspace.cpp
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
kspace.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
lammps.cpp
add functionality to auto-load plugins
2022-03-11 05:52:26 -05:00
lammps.h
convert static class members with git info to functions to simplify auto-export on Windows
2022-01-27 17:20:05 -05:00
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
Apply override to more core classes
2022-01-20 16:43:04 -05:00
library.cpp
update some more version change timestamps
2022-03-19 20:20:30 -04:00
library.h
Add lammps_flush_buffers() library function
2022-02-04 10:40:05 -05:00
lmppython.cpp
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
lmppython.h
Apply override to more classes
2022-01-21 16:58:32 -05:00
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
update install.py script to build a wheel and install that
2022-02-25 00:24:16 -05:00
Makefile.list
…
Makefile.package.empty
…
Makefile.package.settings.empty
…
Makefile.print
…
math_const.h
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -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
whitespace
2022-03-05 17:08:49 -05:00
min_cg.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_cg.h
Apply override to Minimize classes
2022-01-19 13:23:28 -05:00
min_fire_old.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire_old.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
min_fire.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_fire.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
min_hftn.cpp
remove redundant void arguments
2021-10-12 21:17:46 -04:00
min_hftn.h
Apply override to Minimize classes
2022-01-19 13:23:28 -05:00
min_linesearch.cpp
remove dead code, silence compiler warnings
2021-12-23 01:32:31 -05:00
min_linesearch.h
Apply override to Minimize classes
2022-01-19 13:23:28 -05:00
min_quickmin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_quickmin.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
min_sd.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
min_sd.h
Apply override to Minimize classes
2022-01-19 13:23:28 -05:00
min.cpp
use get_(fix|compute)_by_id() instead of find_(fix|compute)()
2021-10-20 06:56:46 -04:00
min.h
Apply override to Minimize classes
2022-01-19 13:23:28 -05:00
minimize.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
minimize.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
modify.cpp
enable and apply clang-format
2022-02-11 18:04:46 -05:00
modify.h
remove make factory function templates from class and make them static functions
2022-02-11 16:00:12 -05:00
molecule.cpp
update whitespace and argument formats for longer source lines
2022-01-16 15:36:01 -05:00
molecule.h
Apply override to AtomVec classes
2022-01-19 17:31:41 -05:00
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
Apply override to NBin classes
2022-01-20 15:44:16 -05:00
nbin_standard.cpp
bulk rename of remaining USER- packages
2021-06-29 20:12:59 -04:00
nbin_standard.h
Apply override to NBin classes
2022-01-20 15:44:16 -05:00
nbin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nbin.h
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
neigh_list.cpp
rename USER-DPD to DPD-REACT
2021-06-29 19:41:23 -04:00
neigh_list.h
Update more core class destructors
2022-01-19 13:27:08 -05:00
neigh_request.cpp
adapt KOKKOS package styles to use new neighbor list request API
2022-03-09 22:43:38 -05:00
neigh_request.h
make neighbor list request flags protected and add selected friends
2022-03-09 23:25:26 -05:00
neighbor.cpp
fix logic bug
2022-03-10 05:44:31 -05:00
neighbor.h
move calculation of number of neighbors to Neighbor class
2022-03-09 23:18:28 -05:00
npair_copy.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_copy.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_full_bin.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_bin.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_full_multi.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_full_multi.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_full_nsq.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_full_nsq.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_half_multi_newtoff.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newtoff.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_half_multi_newton_tri.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton_tri.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_half_multi_newton.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_multi_newton.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_half_size_multi_newtoff.cpp
format changes
2021-09-17 22:50:15 -04:00
npair_half_size_multi_newtoff.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_half_size_multi_newton.cpp
remove evil tabs
2021-08-19 10:06:34 -04:00
npair_half_size_multi_newton.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_halffull_newtoff.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newtoff.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_halffull_newton.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_halffull_newton.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_skip_respa.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_respa.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
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
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_skip_size.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip_size.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair_skip.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair_skip.h
Apply override to NPair classes
2022-01-19 21:51:21 -05:00
npair.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
npair.h
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
nstencil_full_ghost_bin_2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_ghost_bin_2d.h
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
nstencil_full_multi_old_2d.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
nstencil_full_multi_old_2d.h
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
Apply override to NStencil classes
2022-01-20 15:37:15 -05:00
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
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
ntopo_angle_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_all.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_angle_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_partial.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_angle_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_angle_template.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_bond_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_all.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_bond_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_partial.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_bond_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_bond_template.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_dihedral_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_all.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_dihedral_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_partial.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_dihedral_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_dihedral_template.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_improper_all.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_all.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_improper_partial.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_partial.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo_improper_template.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo_improper_template.h
Apply override to NTopo classes
2022-01-20 15:53:01 -05:00
ntopo.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
ntopo.h
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
omp_compat.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
output.cpp
refactor thermo output processing and add new yaml thermo style
2022-03-19 16:39:09 -04:00
output.h
convert more style_creators to use local static functions
2022-02-11 18:29:52 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck_coul_cut.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_buck_coul_cut.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_buck.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_buck.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_cut.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_coul_cut.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_debye.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_coul_debye.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_dsf.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_coul_dsf.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_coul_wolf.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_coul_wolf.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_deprecated.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
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
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hybrid_scaled.cpp
Correct bug in PairHybridScaled::single
2022-02-16 13:48:10 -05:00
pair_hybrid_scaled.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_hybrid.cpp
convert more styles to use new neighbor list request API, apply clang-format
2022-03-05 21:44:45 -05:00
pair_hybrid.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut_coul_cut.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_lj_cut_coul_cut.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_cut.cpp
apply new APIs to a few representative cases
2022-03-02 21:31:35 -05:00
pair_lj_cut.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_lj_expand.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_lj_expand.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_morse.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_morse.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_soft.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_soft.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_table.cpp
silence compiler warning on windows
2021-10-06 16:49:48 -04:00
pair_table.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_yukawa.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_yukawa.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_zbl_const.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zbl.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair_zbl.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair_zero.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
pair_zero.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
pair.cpp
update neighbor list requests with default settings
2022-03-08 06:34:27 -05:00
pair.h
make friends for access to instance_me member
2022-03-02 19:06:08 -05:00
platform.cpp
change platform::mkdir() to create entire path like "mkdir -p"
2022-03-17 11:34:50 -04:00
platform.h
change platform::mkdir() to create entire path like "mkdir -p"
2022-03-17 11:34:50 -04:00
pointers.h
Mark virtual destructors in derived as override
2022-01-18 14:28:25 -05:00
potential_file_reader.cpp
add "rewind()" member function to Text and Potential file reader classes
2022-03-23 14:44:50 -04:00
potential_file_reader.h
add "rewind()" member function to Text and Potential file reader classes
2022-03-23 14:44:50 -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
Apply override to more classes
2022-01-21 16:58:32 -05:00
Purge.list
add missing reaxff files to purge list
2022-03-21 14:35:09 -04:00
random_mars.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
random_mars.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
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
Apply override to more core classes
2022-01-20 16:43:04 -05:00
read_data.cpp
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
read_data.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
read_dump.cpp
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
2022-02-27 11:35:34 -05:00
read_dump.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
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
Apply override to Command classes
2022-01-20 16:35:59 -05:00
reader_native.cpp
add checks after reading data
2022-01-22 17:06:28 -05:00
reader_native.h
Apply override to Reader classes
2022-01-18 14:39:31 -05:00
reader_xyz.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
reader_xyz.h
Apply override to Reader classes
2022-01-18 14:39:31 -05:00
reader.cpp
small updates for docs and comments
2021-12-12 18:11:33 -05:00
reader.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
region_block.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_block.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_cone.cpp
address unititialized data warnings from coverity scan
2022-02-18 04:46:30 -05:00
region_cone.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_cylinder.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region_cylinder.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_deprecated.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_deprecated.h
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
region_intersect.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_intersect.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_plane.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_plane.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_prism.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_prism.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_sphere.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region_sphere.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region_union.cpp
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
region_union.h
Apply override to Region classes
2022-01-18 14:31:29 -05:00
region.cpp
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
region.h
Mark virtual destructors in derived as override
2022-01-18 14:28:25 -05:00
replicate.cpp
replace MPI_Wtime() with platform::walltime()
2021-10-05 22:53:39 -04:00
replicate.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
rerun.cpp
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
2022-02-27 11:35:34 -05:00
rerun.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
reset_atom_ids.cpp
some applications of the new function
2021-09-19 19:05:40 -04:00
reset_atom_ids.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
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
Apply override to Command classes
2022-01-20 16:35:59 -05:00
respa.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
respa.h
Apply override to Integrator classes
2022-01-18 15:17:04 -05:00
run.cpp
some applications of the new function
2021-09-19 19:05:40 -04:00
run.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
set.cpp
new math constants: DEG2RAD and RAD2DEG
2022-03-17 19:44:34 -04:00
set.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
special.cpp
use new API, join loops, modernize
2021-10-31 17:37:43 -04:00
special.h
Apply override to more core classes
2022-01-20 16:43:04 -05:00
suffix.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
table_file_reader.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
table_file_reader.h
Apply override to FileReader classes
2022-01-20 17:49:23 -05:00
tabular_function.cpp
make consistent
2022-01-22 16:33:44 -05:00
tabular_function.h
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
text_file_reader.cpp
add "rewind()" member function to Text and Potential file reader classes
2022-03-23 14:44:50 -04:00
text_file_reader.h
add "rewind()" member function to Text and Potential file reader classes
2022-03-23 14:44:50 -04:00
thermo.cpp
minor tweak to one style thermo output for keeping columns straight
2022-03-23 10:48:15 -04:00
thermo.h
reduce redundant code with helper functions and simplify by using std::string
2022-03-19 18:01:12 -04:00
timer.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
timer.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
tokenizer.cpp
enable and apply clang-format
2022-03-18 00:06:28 -04:00
tokenizer.h
add a more specific example to explain how values are rejected and how atoi() fails
2022-02-14 15:52:33 -05:00
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 more core class destructors
2022-01-19 13:27:08 -05:00
update.cpp
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
2022-02-27 11:35:34 -05:00
update.h
Change Update::reset_timestep() API so that rerun can bypass the time depended fix check
2022-02-27 11:35:34 -05:00
utils.cpp
add star_subst() utility function that replaces a '*' in a string with a number
2022-03-28 22:47:20 -04:00
utils.h
add star_subst() utility function that replaces a '*' in a string with a number
2022-03-28 22:47:20 -04:00
variable.cpp
add extract_setting special function to variable command
2022-03-28 08:00:29 -04:00
variable.h
Mark virtual destructors in derived as override
2022-01-18 14:28:25 -05:00
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
Apply override to Command classes
2022-01-20 16:35:59 -05:00
verlet.cpp
change to checking timestep for time dumps at start of each step
2021-12-20 16:39:17 -07:00
verlet.h
Remove override = default destructor lines
2022-01-20 15:28:47 -05:00
version.h
update version strings for patch release
2022-03-23 19:44:14 -04:00
write_coeff.cpp
fix bug where it was not possible to use an absolute path for write_coeff
2022-03-16 09:00:56 -04:00
write_coeff.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
write_data.cpp
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
write_data.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
write_dump.cpp
try to appease coverity scan
2022-02-25 12:20:08 -05:00
write_dump.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00
write_restart.cpp
warn about problems with the MPIIO package
2021-12-23 01:59:45 -05:00
write_restart.h
Apply override to Command classes
2022-01-20 16:35:59 -05:00