| .. |
|
ADIOS
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
AMOEBA
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-12 18:19:12 -04:00 |
|
ASPHERE
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
ATC
|
fixes from clang-tidy
|
2022-06-14 14:06:11 -04:00 |
|
AWPMD
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
BOCS
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
BODY
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
BPM
|
style changes
|
2022-09-23 05:47:41 -04:00 |
|
BROWNIAN
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
CG-DNA
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
CG-SPICA
|
silence compiler warning
|
2022-08-18 06:35:01 -04:00 |
|
CLASS2
|
no need to include pair.h
|
2022-09-25 06:41:51 -04:00 |
|
COLLOID
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
COLVARS
|
change logic to make coverity scan happy
|
2022-09-23 06:12:56 -04:00 |
|
COMPRESS
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
CORESHELL
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
DEPEND
|
add clang-format support for fastdep tool
|
2021-05-05 23:46:26 -04:00 |
|
DIELECTRIC
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
DIFFRACTION
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
DIPOLE
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
DPD-BASIC
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
DPD-MESO
|
Found three remaining typos; I think we should be OK now
|
2022-08-13 17:31:03 -05:00 |
|
DPD-REACT
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
DPD-SMOOTH
|
avoid resource leak
|
2022-06-14 10:36:21 -04:00 |
|
DRUDE
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
EFF
|
make sure data is initialized
|
2022-09-22 13:05:32 -04:00 |
|
ELECTRODE
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
EXTRA-COMPUTE
|
Fixed a few oversights and typos
|
2022-08-13 13:07:31 -05:00 |
|
EXTRA-DUMP
|
add support for writing a dump file footer
|
2022-06-17 15:53:04 -04:00 |
|
EXTRA-FIX
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
EXTRA-MOLECULE
|
no need to include pair.h
|
2022-09-25 06:41:51 -04:00 |
|
EXTRA-PAIR
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
FEP
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
GPU
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
GRANULAR
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
H5MD
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
INTEL
|
add missing sllod initialization fixes
|
2022-09-25 07:11:25 -04:00 |
|
INTERLAYER
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
KIM
|
improve error messages
|
2022-09-27 20:55:55 -04:00 |
|
KOKKOS
|
add missing sllod initialization fixes
|
2022-09-25 07:11:25 -04:00 |
|
KSPACE
|
make operator precedence explicit
|
2022-09-22 13:21:33 -04:00 |
|
LATBOLTZ
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
LATTE
|
small programming style updates
|
2022-09-13 06:31:49 -04:00 |
|
MACHDYN
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
MAKE
|
Merge branch 'develop' of github.com:lammps/lammps into kk_update_3.6.0
|
2022-05-06 12:04:00 -06:00 |
|
MANIFOLD
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
MANYBODY
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-12 18:19:12 -04:00 |
|
MC
|
fix memory leak and avoid uninitialized data access
|
2022-09-22 13:16:38 -04:00 |
|
MDI
|
apply clang-format
|
2022-09-09 15:22:16 -04:00 |
|
MEAM
|
whitespace
|
2022-08-23 14:27:03 -04:00 |
|
MESONT
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
MGPT
|
fix typo
|
2022-08-05 07:21:11 -04:00 |
|
MISC
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
ML-HDNNP
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
ML-IAP
|
silence compiler warnings
|
2022-09-27 13:20:25 -04:00 |
|
ML-PACE
|
- set species type for NULL atom type to -1. species_type=-1 value will not reach ACE Evaluator::compute_atom, but if it will ,then error will be thrown there
|
2022-06-02 23:01:54 +02:00 |
|
ML-QUIP
|
update neighbor list requests and compute style lookups in machine learning packages
|
2022-03-09 06:49:07 -05:00 |
|
ML-RANN
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
ML-SNAP
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
MOFFF
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
MOLECULE
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
MOLFILE
|
simplify through using utils::strdup()
|
2022-07-27 19:49:31 -04:00 |
|
MPIIO
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
MSCG
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
NETCDF
|
simplify processing for "*" in filenames for embedding timestep by using utility function
|
2022-03-29 06:06:48 -04:00 |
|
OPENMP
|
remove unused NEWTON_PAIR template argument
|
2022-09-23 06:01:25 -04:00 |
|
OPT
|
Fixed a few oversights and typos
|
2022-08-13 13:07:31 -05:00 |
|
ORIENT
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
PERI
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
PHONON
|
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
|
2022-08-13 04:51:54 -05:00 |
|
PLUGIN
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
PLUMED
|
no if statement required before delete[]
|
2022-04-10 19:55:24 -04:00 |
|
POEMS
|
auto loop optimizations
|
2022-09-10 03:07:28 -04:00 |
|
PTM
|
Fixed remaining BibTeX entries, checked all entries in issue #2597
|
2022-08-13 13:45:39 -05:00 |
|
PYTHON
|
Rename mliap_unifiedpy.pyx to mliap_unified_couple.pyx, fix references
|
2022-09-01 02:57:48 -06:00 |
|
QEQ
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
QMMM
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -04:00 |
|
QTB
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
REACTION
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
REAXFF
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
REPLICA
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
RIGID
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
SCAFACOS
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
SHOCK
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
SMTBQ
|
silence compiler warnings
|
2022-08-12 17:13:44 -04:00 |
|
SPH
|
"stringify" and "vectorize" processing of per-atom attributs in AtomVec classes
|
2022-04-14 11:06:10 -04:00 |
|
SPIN
|
simplify/modernize
|
2022-09-26 13:38:35 -04:00 |
|
SRD
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
STUBS
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
TALLY
|
re-enable dynamic group support for tally computes
|
2022-05-03 11:22:38 -04:00 |
|
UEF
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
VORONOI
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
VTK
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
YAFF
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fmt
|
disable assertion to avoid bogus warning from some compilers
|
2022-09-12 17:01:31 -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
|
added mesocnt styles to .gitignore
|
2022-08-30 10:18:00 +01:00 |
|
Depend.sh
|
Correctly handle the dependency of pair style (and fix) srp/react on the MC package
|
2022-07-20 17:01:44 -04:00 |
|
Fetch.sh
|
…
|
|
|
Install.sh
|
…
|
|
|
Make.sh
|
…
|
|
|
Makefile
|
add utility to detect pending version tags in .. versionadded/changed::
|
2022-09-25 03:51:54 -04:00 |
|
Makefile.list
|
…
|
|
|
Makefile.package.empty
|
put back some whitespace
|
2022-05-18 14:59:15 -04:00 |
|
Makefile.package.settings.empty
|
…
|
|
|
Makefile.print
|
…
|
|
|
Package.sh
|
implement a "make no-installed" command
|
2022-05-06 13:35:21 -04:00 |
|
Purge.list
|
updated .gitignore and Purge.list, and author info, and added URL to the SPICA web.
|
2022-07-11 11:38:31 +09:00 |
|
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.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
angle.h
|
Merge branch 'develop' into amoeba-ak
|
2022-05-28 05:24:02 -04:00 |
|
angle_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
angle_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
angle_hybrid.cpp
|
silence compiler warnings
|
2022-05-16 23:20:04 -04:00 |
|
angle_hybrid.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
angle_zero.cpp
|
new math constants: DEG2RAD and RAD2DEG
|
2022-03-17 19:44:34 -04:00 |
|
angle_zero.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
arg_info.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
arg_info.h
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
atom.cpp
|
avoid null pointer dereference
|
2022-09-22 13:21:54 -04:00 |
|
atom.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
atom_map.cpp
|
Add atom_map hash option for Kokkos package
|
2021-06-28 08:38:31 -06:00 |
|
atom_map.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_masks.h
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
atom_vec.cpp
|
recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
|
2022-09-10 12:50:45 -04:00 |
|
atom_vec.h
|
recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
|
2022-09-10 12:50:45 -04:00 |
|
atom_vec_atomic.cpp
|
no more need to explicitly initialize empty fields
|
2022-04-14 12:00:56 -04:00 |
|
atom_vec_atomic.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_body.cpp
|
clang-tidy fixes
|
2022-09-10 03:18:06 -04:00 |
|
atom_vec_body.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_charge.cpp
|
no more need to explicitly initialize empty fields
|
2022-04-14 12:00:56 -04:00 |
|
atom_vec_charge.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_ellipsoid.cpp
|
no more need to explicitly initialize empty fields
|
2022-04-14 12:00:56 -04:00 |
|
atom_vec_ellipsoid.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_hybrid.cpp
|
implement better checking for atom_style arguments and remove redundant code
|
2022-05-14 15:43:11 -04:00 |
|
atom_vec_hybrid.h
|
implement better checking for atom_style arguments and remove redundant code
|
2022-05-14 15:43:11 -04:00 |
|
atom_vec_line.cpp
|
no more need to explicitly initialize empty fields
|
2022-04-14 12:00:56 -04:00 |
|
atom_vec_line.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_sphere.cpp
|
Merge branch 'develop' into atomvec-strings
|
2022-04-14 16:52:04 -04:00 |
|
atom_vec_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
atom_vec_tri.cpp
|
no more need to explicitly initialize empty fields
|
2022-04-14 12:00:56 -04:00 |
|
atom_vec_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
balance.cpp
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
balance.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
body.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
body.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
bond.cpp
|
Restarting additional BPM settings, adding virial contributions from tangential bonds
|
2022-08-30 13:25:36 -06:00 |
|
bond.h
|
Restarting additional BPM settings, adding virial contributions from tangential bonds
|
2022-08-30 13:25:36 -06:00 |
|
bond_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
bond_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
bond_hybrid.cpp
|
Adding extra property vector to bonds
|
2022-06-06 10:10:43 -06:00 |
|
bond_hybrid.h
|
Adding extra property vector to bonds
|
2022-06-06 10:10:43 -06:00 |
|
bond_zero.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
bond_zero.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
change_box.cpp
|
improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
|
2022-08-18 11:22:36 +08:00 |
|
change_box.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
citeme.cpp
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -04:00 |
|
citeme.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
comm.cpp
|
fix logic error introduced in PR #3408
|
2022-08-27 10:23:58 -04:00 |
|
comm.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
comm_brick.cpp
|
programming style and format updates
|
2022-04-12 22:52:07 -04:00 |
|
comm_brick.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
comm_tiled.cpp
|
programming style and format updates
|
2022-04-12 22:52:07 -04:00 |
|
comm_tiled.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
command.h
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
compute.cpp
|
use accessor function to get and process list of fixes
|
2022-03-16 14:18:09 -04:00 |
|
compute.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_angle.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_angle.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_angle_local.cpp
|
silence compiler warnings
|
2021-09-29 14:04:01 -04:00 |
|
compute_angle_local.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_angmom_chunk.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
compute_angmom_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_bond.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_bond.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_bond_local.cpp
|
Updating error messages, small changes to doc
|
2022-09-03 16:44:21 -06:00 |
|
compute_bond_local.h
|
Adding extra property vector to bonds
|
2022-06-06 10:10:43 -06:00 |
|
compute_centro_atom.cpp
|
apply clang-format
|
2022-05-14 18:01:34 -04:00 |
|
compute_centro_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_centroid_stress_atom.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
compute_centroid_stress_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_chunk_atom.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
compute_chunk_atom.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_chunk_spread_atom.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_chunk_spread_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_cluster_atom.cpp
|
Merge branch 'develop' into Elastic_stress
|
2022-04-23 04:36:45 -04:00 |
|
compute_cluster_atom.h
|
remove unused class member
|
2022-05-07 03:48:54 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_com.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_com.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_com_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_com_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_coord_atom.cpp
|
Merge branch 'develop' into Elastic_stress
|
2022-04-23 04:36:45 -04:00 |
|
compute_coord_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_dihedral.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
compute_dihedral.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_dihedral_local.cpp
|
remove unused variable
|
2021-09-16 22:58:42 -04:00 |
|
compute_dihedral_local.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_dipole_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_dipole_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_displace_atom.cpp
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_displace_atom.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_erotate_sphere.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_erotate_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_global_atom.cpp
|
more use of modernized APIs
|
2022-03-16 15:24:42 -04:00 |
|
compute_global_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_gyration.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
compute_gyration.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_gyration_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_gyration_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_improper.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
compute_improper.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_inertia_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_inertia_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_ke.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_ke.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_msd.cpp
|
improved some error messages in compute_msd,fix_indent and fix_nh.cpp
|
2022-08-15 10:51:29 +08:00 |
|
compute_msd.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_msd_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_msd_chunk.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_omega_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_omega_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_orientorder_atom.cpp
|
apply clang-format
|
2022-05-14 18:01:34 -04:00 |
|
compute_orientorder_atom.h
|
small programming style upgrade, apply clang-format, silence compiler warnings
|
2022-05-06 16:44:13 -04:00 |
|
compute_pair.cpp
|
reformat
|
2021-07-21 22:00:27 -04:00 |
|
compute_pair.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_pair_local.cpp
|
small tweaks
|
2022-08-09 14:47:58 -04:00 |
|
compute_pair_local.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_pe.cpp
|
reformat
|
2021-06-16 08:40:40 -04:00 |
|
compute_pe.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_pe_atom.cpp
|
change energy tally during minimize
|
2022-06-17 05:44:43 -04:00 |
|
compute_pe_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_pressure.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_pressure.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_property_atom.cpp
|
correcting memory issue in SPIN/compute_spin.cpp
|
2022-09-21 09:34:30 +02:00 |
|
compute_property_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_property_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_property_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_reduce.cpp
|
Merge branch 'develop' into compute-abs-sum
|
2022-05-04 12:23:50 -04:00 |
|
compute_reduce.h
|
Merge branch 'develop' into compute-abs-sum
|
2022-05-04 12:23:50 -04:00 |
|
compute_reduce_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_reduce_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_reduce_region.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
compute_reduce_region.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_slice.cpp
|
more use of modernized APIs
|
2022-03-16 15:24:42 -04:00 |
|
compute_slice.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_stress_atom.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
compute_stress_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
compute_temp.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_temp_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp_deform.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
compute_temp_deform.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp_profile.cpp
|
Merge branch 'develop' into compute_temp_profile_dof
|
2022-04-22 22:16:42 -04:00 |
|
compute_temp_profile.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp_region.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
compute_temp_region.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_temp_sphere.cpp
|
simplify and modernize code a little
|
2021-09-15 23:15:14 -04:00 |
|
compute_temp_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_torque_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_torque_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
compute_vacf.cpp
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_vacf.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
compute_vcm_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
compute_vcm_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
create_atoms.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
create_atoms.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
create_bonds.cpp
|
re-initialize neighbor lists at end to clear out the occasional list entry
|
2022-08-28 11:38:01 -04:00 |
|
create_bonds.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
create_box.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
create_box.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
delete_atoms.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
delete_atoms.h
|
change partial to random
|
2022-05-17 11:02:42 -06:00 |
|
delete_bonds.cpp
|
programming style and format updates
|
2022-04-12 22:52:07 -04:00 |
|
delete_bonds.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
deprecated.cpp
|
add deprecation handling removed commands and styles
|
2022-04-08 17:25:56 -04:00 |
|
deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dihedral.cpp
|
make default settings() functions for bonded interactions error out with arguments
|
2022-05-14 17:55:56 -04:00 |
|
dihedral.h
|
make default settings() functions for bonded interactions error out with arguments
|
2022-05-14 17:55:56 -04:00 |
|
dihedral_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
dihedral_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dihedral_hybrid.cpp
|
silence compiler warnings
|
2022-05-16 23:20:04 -04:00 |
|
dihedral_hybrid.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dihedral_zero.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
dihedral_zero.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
displace_atoms.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
displace_atoms.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
domain.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
domain.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump.cpp
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-12 18:19:12 -04:00 |
|
dump.h
|
format
|
2022-09-25 06:41:37 -04:00 |
|
dump_atom.cpp
|
clear custom keywords when default column names change with dump_modify scale or image
|
2022-09-10 04:54:09 -04:00 |
|
dump_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump_cfg.cpp
|
avoid out-of-bounds access in dump style cfg, update docs with simpler semantic
|
2022-05-14 09:39:50 -04:00 |
|
dump_cfg.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump_custom.cpp
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
dump_custom.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
dump_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
dump_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump_image.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
dump_image.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump_local.cpp
|
Fixing estimated r0 on restart, other small edits
|
2022-09-03 15:33:29 -06:00 |
|
dump_local.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
dump_movie.cpp
|
port dump movie to platform namespace
|
2021-10-06 14:08:45 -04:00 |
|
dump_movie.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
dump_xyz.cpp
|
no if statement required before delete[]
|
2022-04-10 19:55:24 -04:00 |
|
dump_xyz.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
error.cpp
|
Use utils::flush_buffers() in error.cpp and thermo.cpp
|
2022-02-04 18:00:47 -05:00 |
|
error.h
|
use make_format_args() instead of make_args_checked() (removed in v9)
|
2022-08-04 21:59:37 -04:00 |
|
exceptions.h
|
Apply override to more classes
|
2022-01-21 16:58:32 -05:00 |
|
file_writer.h
|
Apply override to Pair classes
|
2022-01-21 16:13:49 -05:00 |
|
finish.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
finish.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix.cpp
|
apply utils::logical() to more commands
|
2021-09-21 07:48:50 -04:00 |
|
fix.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_adapt.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_adapt.h
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
fix_addforce.cpp
|
improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
|
2022-08-16 20:33:22 +08:00 |
|
fix_addforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_atom.cpp
|
remove check that is no longer needed
|
2021-12-09 18:08:43 -05:00 |
|
fix_ave_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_ave_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_correlate.cpp
|
replace more uses of XXXINT_FORMAT with fmtlib
|
2022-03-30 13:53:25 -04:00 |
|
fix_ave_correlate.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_histo.cpp
|
replace more uses of XXXINT_FORMAT with fmtlib
|
2022-03-30 13:53:25 -04:00 |
|
fix_ave_histo.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_histo_weight.cpp
|
replace more uses of XXXINT_FORMAT with fmtlib
|
2022-03-30 13:53:25 -04:00 |
|
fix_ave_histo_weight.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_ave_time.cpp
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
fix_ave_time.h
|
add yaml format output for mode scalar
|
2022-04-28 07:46:47 -04:00 |
|
fix_aveforce.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
fix_aveforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_balance.cpp
|
adapt all users of FixStore to use FixStoreGlobal or FixStorePeratom
|
2022-08-04 11:33:14 -04:00 |
|
fix_balance.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_bond_history.cpp
|
Removing junk copied during write_data
|
2022-06-13 12:46:29 -06:00 |
|
fix_bond_history.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_box_relax.cpp
|
modernize accessors and error handling in fixes box/relax and spring/chunk
|
2022-09-02 05:42:35 -04:00 |
|
fix_box_relax.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_deform.cpp
|
auto loop optimizations
|
2022-09-10 03:07:28 -04:00 |
|
fix_deform.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_deposit.cpp
|
simplify `Molecule::check_attributes()`
|
2022-08-13 16:56:53 -04:00 |
|
fix_deposit.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_dt_reset.cpp
|
apply include statement updates suggested by running IWYU
|
2022-02-13 19:39:15 -05:00 |
|
fix_dt_reset.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_dummy.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
fix_dummy.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_efield.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
fix_efield.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_enforce2d.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_enforce2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_evaporate.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
fix_evaporate.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_gravity.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_gravity.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_group.cpp
|
Merge branch 'develop' into Elastic_stress
|
2022-04-23 04:36:45 -04:00 |
|
fix_group.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_halt.cpp
|
avoid unsafe strcpy()
|
2022-04-09 19:01:42 -04:00 |
|
fix_halt.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_heat.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
fix_heat.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_indent.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_indent.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_langevin.cpp
|
modernize fixes langevin, press/berendsen, temp/berendsen, temp/rescale
|
2022-08-17 06:57:38 -04:00 |
|
fix_langevin.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_lineforce.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_lineforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_minimize.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
fix_minimize.h
|
remove error docs from header files
|
2022-04-22 23:31:15 -04:00 |
|
fix_momentum.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
fix_momentum.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_move.cpp
|
Remove files from other branch.
|
2022-06-17 14:16:03 -06:00 |
|
fix_move.h
|
Remove files from other branch.
|
2022-06-17 14:16:03 -06:00 |
|
fix_neigh_history.cpp
|
Resolving merge conflicts
|
2022-03-23 14:28:27 -06:00 |
|
fix_neigh_history.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nh.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_nh.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nh_sphere.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
fix_nh_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nph.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_nph.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nph_sphere.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_nph_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_npt.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_npt.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_npt_sphere.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_npt_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nve.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_nve.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nve_limit.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_nve_limit.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nve_noforce.cpp
|
improve error message on fix_nve_noforce
|
2022-09-02 21:47:56 -04:00 |
|
fix_nve_noforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nve_sphere.cpp
|
fix trailing whitespace
|
2022-09-02 22:00:04 -04:00 |
|
fix_nve_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nvt.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
fix_nvt.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nvt_sllod.cpp
|
address possible initialization issues reported by coverity scan
|
2022-09-22 10:34:23 -04:00 |
|
fix_nvt_sllod.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_nvt_sphere.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
fix_nvt_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_pair.cpp
|
Merge pull request #3455 from lammps/fix-pair-min-tweak
|
2022-09-22 12:25:04 -04:00 |
|
fix_pair.h
|
add lasttime check to fix pair
|
2022-09-21 14:03:04 -06:00 |
|
fix_planeforce.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_planeforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_press_berendsen.cpp
|
modernize fixes langevin, press/berendsen, temp/berendsen, temp/rescale
|
2022-08-17 06:57:38 -04:00 |
|
fix_press_berendsen.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_print.cpp
|
avoid unsafe strcpy()
|
2022-04-09 19:01:42 -04:00 |
|
fix_print.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_property_atom.cpp
|
fixing merge conflicts
|
2022-09-15 14:49:21 -06:00 |
|
fix_property_atom.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
remove error docs from header files
|
2022-04-22 23:31:15 -04:00 |
|
fix_recenter.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_recenter.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
remove error docs from header files
|
2022-04-22 23:31:15 -04:00 |
|
fix_restrain.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_restrain.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_setforce.cpp
|
improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
|
2022-08-16 20:33:22 +08:00 |
|
fix_setforce.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_spring.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_spring.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_spring_chunk.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_spring_chunk.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_spring_self.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_spring_self.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_store_force.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_store_force.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_store_global.cpp
|
fix off-by-one bugs, improve error messages
|
2022-08-04 12:27:26 -04:00 |
|
fix_store_global.h
|
split fix STORE into fix STORE/GLOBAL and fix STORE/PERATOM
|
2022-08-04 06:43:15 -04:00 |
|
fix_store_local.cpp
|
rename fix STORE_LOCAL to STORE/LOCAL for consistency
|
2022-08-05 02:57:38 -04:00 |
|
fix_store_local.h
|
rename fix STORE_LOCAL to STORE/LOCAL for consistency
|
2022-08-05 02:57:38 -04:00 |
|
fix_store_peratom.cpp
|
fix off-by-one bugs, improve error messages
|
2022-08-04 12:27:26 -04:00 |
|
fix_store_peratom.h
|
silence compiler warnings about unused variables
|
2022-08-06 19:59:37 -04:00 |
|
fix_store_state.cpp
|
apply utils::logical() to more commands
|
2021-09-21 07:48:50 -04:00 |
|
fix_store_state.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_temp_berendsen.cpp
|
modernize fixes langevin, press/berendsen, temp/berendsen, temp/rescale
|
2022-08-17 06:57:38 -04:00 |
|
fix_temp_berendsen.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_temp_rescale.cpp
|
Merge branch 'refactor-find-xxx' of github.com:akohlmey/lammps into refactor-find-xxx
|
2022-08-17 15:52:02 -04:00 |
|
fix_temp_rescale.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_thermal_conductivity.cpp
|
complete moving packages and styles around
|
2021-07-23 18:11:25 -04:00 |
|
fix_thermal_conductivity.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_update_special_bonds.cpp
|
Merge branch 'BPM' of github.com:jtclemm/lammps into BPM
|
2022-09-21 15:28:35 -06:00 |
|
fix_update_special_bonds.h
|
Adding methods needed to efficiently create bonds
|
2022-08-30 10:58:55 -06:00 |
|
fix_vector.cpp
|
modernize fix vector
|
2022-08-16 22:56:29 -04:00 |
|
fix_vector.h
|
modernize fix vector
|
2022-08-16 22:56:29 -04:00 |
|
fix_viscous.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_viscous.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_wall.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
fix_wall.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_wall_harmonic.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
fix_wall_harmonic.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
Apply override to Fix classes
|
2022-01-21 14:45:53 -05:00 |
|
fix_wall_morse.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
fix_wall_morse.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_wall_reflect.cpp
|
Improved fix wall/reflect changes
|
2022-08-17 08:38:43 +08:00 |
|
fix_wall_reflect.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fix_wall_region.cpp
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
fix_wall_region.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
fmtlib_format.cpp
|
update {fmt} library to version 9.0.0
|
2022-08-04 22:06:37 -04:00 |
|
fmtlib_os.cpp
|
update {fmt} library to version 9.0.0
|
2022-08-04 22:06:37 -04:00 |
|
force.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
force.h
|
Merge remote-tracking branch 'github/develop' into amoeba-ak
|
2022-04-28 20:08:18 -04:00 |
|
gridcomm.cpp
|
more changes to sync with new templated GridComm
|
2022-04-18 17:52:18 -06:00 |
|
gridcomm.h
|
more changes to sync with new templated GridComm
|
2022-04-18 17:52:18 -06:00 |
|
group.cpp
|
modernize and simplify
|
2022-08-11 03:45:36 -04:00 |
|
group.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
hashlittle.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
hashlittle.h
|
apply clang-format to all headers with some exceptions
|
2021-05-14 19:16:07 -04:00 |
|
image.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
image.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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 |
|
imbalance_group.cpp
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -04:00 |
|
imbalance_group.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
imbalance_neigh.cpp
|
silence compiler warnings about unused variables
|
2022-03-18 18:09:24 -04:00 |
|
imbalance_neigh.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
imbalance_store.cpp
|
format changes
|
2021-09-17 22:50:15 -04:00 |
|
imbalance_store.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
imbalance_time.cpp
|
format changes
|
2021-09-17 22:50:15 -04:00 |
|
imbalance_time.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
imbalance_var.cpp
|
format changes
|
2021-09-17 22:50:15 -04:00 |
|
imbalance_var.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
improper.cpp
|
make default settings() functions for bonded interactions error out with arguments
|
2022-05-14 17:55:56 -04:00 |
|
improper.h
|
make default settings() functions for bonded interactions error out with arguments
|
2022-05-14 17:55:56 -04:00 |
|
improper_deprecated.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
improper_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
improper_hybrid.cpp
|
silence compiler warnings
|
2022-05-16 23:20:04 -04:00 |
|
improper_hybrid.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
improper_zero.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
improper_zero.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
info.cpp
|
add Atom::get_style() method
|
2022-08-27 16:13:00 -04:00 |
|
info.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
input.cpp
|
clang-tidy fixes
|
2022-09-10 03:18:06 -04:00 |
|
input.h
|
replace Input::readtype() with utils::expand_type()
|
2022-09-05 06:16:18 -04:00 |
|
integrate.cpp
|
recover failing unit tests and whitespace fixes
|
2021-12-23 15:22:58 -05:00 |
|
integrate.h
|
make force_clear() a public pure function in min.h and integrate.h
|
2022-05-04 12:30:17 -04:00 |
|
irregular.cpp
|
use accessor function to get and process list of fixes
|
2022-03-16 14:18:09 -04:00 |
|
irregular.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
kspace.cpp
|
ELECTRODE package
|
2022-02-10 11:33:38 +01:00 |
|
kspace.h
|
apply clang-format
|
2022-05-14 18:01:34 -04:00 |
|
kspace_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
kspace_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
label_map.cpp
|
fix logic bug
|
2022-09-04 17:43:20 -04:00 |
|
label_map.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
lammps.cpp
|
remove redundant calls
|
2022-08-10 06:57:59 -04:00 |
|
lammps.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
lammpsplugin.h
|
make compatible with C
|
2021-10-01 15:24:59 -04:00 |
|
lattice.cpp
|
Merge branch 'improve-errors' of github.com:crackboy88/lammps into improve-errors
|
2022-08-18 21:09:27 +08:00 |
|
lattice.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
library.cpp
|
Merge pull request #3458 from Boogie3D/mliappy_unified
|
2022-09-26 20:33:17 -04:00 |
|
library.h
|
Merge pull request #3458 from Boogie3D/mliappy_unified
|
2022-09-26 20:33:17 -04:00 |
|
lmpfftsettings.h
|
Merge branch 'develop' into collected-small-changes
|
2022-05-06 11:45:51 -04:00 |
|
lmppython.cpp
|
use '= default' when default functions should be used
|
2021-10-13 23:59:05 -04:00 |
|
lmppython.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
lmprestart.h
|
Merge branch 'develop' into type-labels
|
2022-08-08 17:16:50 -04:00 |
|
lmptype.h
|
Fix noalias definition so that it compiles with nvc++
|
2022-09-10 13:28:25 +03:00 |
|
lmpwindows.h
|
remove stuff that is incompatible with recent MSVC compilers
|
2021-09-07 00:59:16 -04:00 |
|
main.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
math_const.h
|
complete region handling refactor
|
2022-04-16 00:17:39 -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_eigen_impl.h
|
cosmetic changes
|
2021-09-15 16:08:53 -04:00 |
|
math_extra.cpp
|
Adding files for BPM
|
2021-08-27 09:22:56 -06:00 |
|
math_extra.h
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
math_special.cpp
|
start documenting functions in the MathSpecial namespace
|
2022-04-27 04:46:18 -04:00 |
|
math_special.h
|
apply clang-format
|
2022-09-10 03:29:32 -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
|
Merge remote-tracking branch 'github/develop' into amoeba-ak
|
2022-04-28 20:08:18 -04:00 |
|
min.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
min.h
|
make force_clear() a public pure function in min.h and integrate.h
|
2022-05-04 12:30:17 -04:00 |
|
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.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_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_hftn.cpp
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -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 |
|
minimize.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
minimize.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
modify.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
modify.h
|
apply clang-format
|
2022-05-14 18:01:34 -04:00 |
|
molecule.cpp
|
avoid ambiguous variable override with due to for scoping
|
2022-09-12 16:27:54 -04:00 |
|
molecule.h
|
simplify `Molecule::check_attributes()`
|
2022-08-13 16:56:53 -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.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
nbin.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nbin_standard.cpp
|
bulk rename of remaining USER- packages
|
2021-06-29 20:12:59 -04:00 |
|
nbin_standard.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
neigh_list.cpp
|
Fix logic issue
|
2022-07-11 09:04:51 -06:00 |
|
neigh_list.h
|
Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
|
2022-07-07 16:48:03 -06:00 |
|
neigh_request.cpp
|
remove unused NeighRequest member variable index
|
2022-09-22 11:32:14 -04:00 |
|
neigh_request.h
|
remove unused NeighRequest member variable index
|
2022-09-22 11:32:14 -04:00 |
|
neighbor.cpp
|
remove unused NeighRequest member variable index
|
2022-09-22 11:32:14 -04:00 |
|
neighbor.h
|
fixing merge conflicts
|
2022-09-15 14:49:21 -06:00 |
|
npair.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
npair.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_copy.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
npair_copy.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_full_bin_atomonly.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
npair_full_bin_atomonly.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_full_multi.cpp
|
remove evil tabs
|
2021-08-19 10:06:34 -04:00 |
|
npair_full_multi.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_multi_newtoff.cpp
|
remove evil tabs
|
2021-08-19 10:06:34 -04:00 |
|
npair_half_multi_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_multi_newton.cpp
|
remove evil tabs
|
2021-08-19 10:06:34 -04:00 |
|
npair_half_multi_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_bin_newtoff.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_bin_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_bin_newton.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_bin_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_bin_newton_tri.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_bin_newton_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_newtoff.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_newton.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_newton_tri.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_newton_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_old_newtoff.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_old_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_old_newton.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_old_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_multi_old_newton_tri.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_multi_old_newton_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_nsq_newtoff.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_nsq_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_half_size_nsq_newton.cpp
|
Adding Steve's edits in documenation + associated changes in files
|
2021-12-03 16:12:31 -07:00 |
|
npair_half_size_nsq_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_halffull_newtoff.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
npair_halffull_newtoff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_halffull_newtoff_trim.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
npair_halffull_newtoff_trim.h
|
Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
|
2022-07-07 16:48:03 -06:00 |
|
npair_halffull_newton.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
npair_halffull_newton.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_halffull_newton_trim.cpp
|
Whitespace
|
2022-07-08 10:04:33 -06:00 |
|
npair_halffull_newton_trim.h
|
Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
|
2022-07-07 16:48:03 -06:00 |
|
npair_skip.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
npair_skip.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_skip_size.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
npair_skip_size.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
npair_trim.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
npair_trim.h
|
Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay
|
2022-07-07 16:48:03 -06:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_bin_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_bin_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_bin_3d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_bin_3d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_ghost_bin_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_ghost_bin_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_ghost_bin_3d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_ghost_bin_3d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_multi_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_multi_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_multi_old_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_multi_old_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_full_multi_old_3d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_full_multi_old_3d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_bin_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_bin_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_bin_2d_tri.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_bin_2d_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_bin_3d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_bin_3d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_bin_3d_tri.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_bin_3d_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_multi_old_2d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_multi_old_2d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_multi_old_2d_tri.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_multi_old_2d_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_multi_old_3d.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_multi_old_3d.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
nstencil_half_multi_old_3d_tri.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
nstencil_half_multi_old_3d_tri.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
ntopo.cpp
|
Adding methods needed to efficiently create bonds
|
2022-08-30 10:58:55 -06:00 |
|
ntopo.h
|
Adding methods needed to efficiently create bonds
|
2022-08-30 10:58:55 -06:00 |
|
ntopo_angle_all.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
ntopo_angle_all.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
ntopo_bond_all.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
ntopo_bond_all.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
ntopo_bond_partial.cpp
|
enable and apply clang-format
|
2022-05-22 07:04:35 -04:00 |
|
ntopo_bond_partial.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
omp_compat.h
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
output.cpp
|
whitespace
|
2022-09-09 12:48:14 -04:00 |
|
output.h
|
add get_dump_by_index() function
|
2022-08-11 09:46:22 -04:00 |
|
pack.h
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair.cpp
|
correct pair coeff mixing diagnostic for CLASS2 pair styles
|
2022-08-28 05:55:33 -04:00 |
|
pair.h
|
Merge branch 'develop' into fix-pair-dump-skip
|
2022-09-12 18:19:12 -04:00 |
|
pair_born.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair_born.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_buck.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair_buck.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_coul_cut.cpp
|
update neighbor list requests with default settings
|
2022-03-08 06:34:27 -05:00 |
|
pair_coul_cut.h
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_coul_dsf.cpp
|
update neighbor list requests with default settings
|
2022-03-08 06:34:27 -05:00 |
|
pair_coul_dsf.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_coul_wolf.cpp
|
update neighbor list requests with default settings
|
2022-03-08 06:34:27 -05:00 |
|
pair_coul_wolf.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
pair_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_hybrid.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
pair_hybrid.h
|
apply clang-format
|
2022-09-10 03:29:32 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_hybrid_scaled.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
pair_hybrid_scaled.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_lj_cut.cpp
|
Merge branch 'develop' into region-lookup-refactor
|
2022-04-23 07:14:28 -04:00 |
|
pair_lj_cut.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_morse.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair_morse.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_soft.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair_soft.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_table.cpp
|
stop with detailed parser error message with incorrect potential tables
|
2022-05-28 04:45:52 -04:00 |
|
pair_table.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_yukawa.cpp
|
enable and apply clang-format
|
2022-05-20 06:51:36 -04:00 |
|
pair_yukawa.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_zbl.cpp
|
update neighbor list requests with default settings
|
2022-03-08 06:34:27 -05:00 |
|
pair_zbl.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
pair_zbl_const.h
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
pair_zero.cpp
|
enable and apply clang-format
|
2022-05-20 07:12:25 -04:00 |
|
pair_zero.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
platform.cpp
|
update windows version history
|
2022-05-29 02:01:21 -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
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -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 auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
procmap.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
random_mars.cpp
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
random_mars.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
random_park.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
random_park.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
rcb.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
rcb.h
|
Apply override to more core classes
|
2022-01-20 16:43:04 -05:00 |
|
read_data.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
read_data.h
|
Merge branch 'develop' into type-labels
|
2022-08-22 10:45:48 -04:00 |
|
read_dump.cpp
|
add option to read_dump that prevents resetting the timestep
|
2022-07-10 05:00:03 -04:00 |
|
read_dump.h
|
add option to read_dump that prevents resetting the timestep
|
2022-07-10 05:00:03 -04:00 |
|
read_restart.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
read_restart.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
reader.cpp
|
avoid file pointer leakage in dump reader base class.
|
2022-06-13 22:01:30 -04:00 |
|
reader.h
|
avoid file pointer leakage in dump reader base class.
|
2022-06-13 22:01:30 -04:00 |
|
reader_native.cpp
|
more parsing updates
|
2022-03-30 07:38:33 -04:00 |
|
reader_native.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
reader_xyz.cpp
|
small tweaks
|
2022-08-09 14:47:58 -04:00 |
|
reader_xyz.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
region.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_block.cpp
|
improved error messages in a bunch of region commands
|
2022-08-15 15:04:18 -04:00 |
|
region_block.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_cone.cpp
|
whitespace fixes
|
2022-08-15 21:48:01 -04:00 |
|
region_cone.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_cylinder.cpp
|
whitespace fixes
|
2022-08-15 21:48:01 -04:00 |
|
region_cylinder.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_deprecated.cpp
|
enable and apply clang-format
|
2022-05-22 06:46:24 -04:00 |
|
region_deprecated.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_ellipsoid.cpp
|
improved error messages in a bunch of region commands
|
2022-08-15 15:04:18 -04:00 |
|
region_ellipsoid.h
|
add override to polymorph functions
|
2022-04-27 18:36:00 -04:00 |
|
region_intersect.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
region_intersect.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_plane.cpp
|
improved error messages in a bunch of region commands
|
2022-08-15 15:04:18 -04:00 |
|
region_plane.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_prism.cpp
|
improved error messages in a bunch of region commands
|
2022-08-15 15:04:18 -04:00 |
|
region_prism.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_sphere.cpp
|
improved error messages in a bunch of region commands
|
2022-08-15 15:04:18 -04:00 |
|
region_sphere.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
region_union.cpp
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
region_union.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
replicate.cpp
|
replace MPI_Wtime() with platform::walltime()
|
2021-10-05 22:53:39 -04:00 |
|
replicate.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
rerun.cpp
|
must set Output::next_dump_any to current step with rerun
|
2022-05-20 09:27:16 -04:00 |
|
rerun.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
reset_atom_ids.cpp
|
use auto type when assigning from cast or using new
|
2022-04-10 18:16:36 -04:00 |
|
reset_atom_ids.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
reset_mol_ids.cpp
|
use dynamic cast instead of c-style cast when casting from base type to derived class
|
2022-04-10 18:18:06 -04:00 |
|
reset_mol_ids.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
respa.cpp
|
make force_clear() a public pure function in min.h and integrate.h
|
2022-05-04 12:30:17 -04:00 |
|
respa.h
|
make force_clear() a public pure function in min.h and integrate.h
|
2022-05-04 12:30:17 -04:00 |
|
run.cpp
|
improve error messages in run and variable.cpp
|
2022-08-25 11:09:21 +08:00 |
|
run.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
set.cpp
|
whitespace fixup with dynamic casts
|
2022-09-10 13:26:38 -04:00 |
|
set.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
special.cpp
|
recover non-labelmap functionality with Kokkos. Error out when maps are used with Kokkos
|
2022-09-10 12:50:45 -04:00 |
|
special.h
|
apply clang-format
|
2022-09-10 03:29:32 -04:00 |
|
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
|
more clang-tidy fixes after re-running it with added settings
|
2022-05-14 07:18:05 -04:00 |
|
text_file_reader.h
|
refactor group access, enable and apply clang-format
|
2022-04-15 15:29:43 -04:00 |
|
thermo.cpp
|
avoid excess string copy in auto loops
|
2022-09-01 16:02:32 -04:00 |
|
thermo.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
timer.cpp
|
enable and apply clang-format
|
2022-03-18 00:06:28 -04:00 |
|
timer.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
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
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
update.cpp
|
remove NULL option for reset_timestep
|
2022-05-04 16:21:06 -04:00 |
|
update.h
|
implement set_time command
|
2022-05-03 13:15:52 -04:00 |
|
utils.cpp
|
portability improvement
|
2022-09-30 09:02:14 -04:00 |
|
utils.h
|
new utility function "utils::expand_type" to convert type labels to numeric strings
|
2022-09-05 05:45:31 -04:00 |
|
variable.cpp
|
must match the entire string
|
2022-09-30 15:05:41 -04:00 |
|
variable.h
|
rename variable special function to retrieve types for labels to label2type()
|
2022-09-06 18:56:00 -04:00 |
|
velocity.cpp
|
improved some error messages in velocity.cpp and dump.cpp
|
2022-08-13 19:10:57 +08:00 |
|
velocity.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
verlet.cpp
|
fix bug when no other post_force fixes are defined
|
2022-04-22 17:10:56 -06:00 |
|
verlet.h
|
make force_clear() a public pure function in min.h and integrate.h
|
2022-05-04 12:30:17 -04:00 |
|
version.h
|
update versions strings for the next patch release
|
2022-09-14 16:29:10 -04:00 |
|
write_coeff.cpp
|
improve error messages
|
2022-09-11 22:10:50 -04:00 |
|
write_coeff.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
write_data.cpp
|
properly initialize Atom class member and avoid side effects during write data
|
2022-09-11 22:11:22 -04:00 |
|
write_data.h
|
Merge branch 'develop' into type-labels
|
2022-08-08 17:16:50 -04:00 |
|
write_dump.cpp
|
improve error messages
|
2022-09-11 22:10:50 -04:00 |
|
write_dump.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
|
write_restart.cpp
|
improve error messages
|
2022-09-10 19:47:28 -04:00 |
|
write_restart.h
|
clang-format update
|
2022-04-23 13:08:11 -04:00 |
172106717d