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6f6adc285a3cbd761e9ff88ee2b60bf812b107dc
lammps/src
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Stan Gerald Moore 6f6adc285a Fix typo
2021-05-14 10:25:32 -06:00
..
ASPHERE
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
BODY
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
CLASS2
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
COLLOID
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
COMPRESS
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
CORESHELL
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
DEPEND
…
DIPOLE
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fmt
don't use "constexpr" here because multiple compilers are complaining about the missing initializer
2021-03-11 14:03:24 -05:00
GPU
apply clang-format
2021-05-12 00:17:12 -04:00
GRANULAR
whitespace fixes
2021-05-12 06:30:52 -04:00
KIM
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
KOKKOS
Fix typo
2021-05-14 10:25:32 -06:00
KSPACE
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
LATTE
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
MAKE
convert plugin functionality into a package
2021-03-16 23:00:16 -04:00
MANYBODY
Merge pull request #2749 from akohlmey/varargs-message-warning
2021-05-10 13:41:23 -04:00
MC
Merge pull request #2758 from akohlmey/collected-small-changes
2021-05-11 19:31:12 -04:00
MESSAGE
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
MISC
Merge pull request #2749 from akohlmey/varargs-message-warning
2021-05-10 13:41:23 -04:00
MLIAP
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
MOLECULE
small fixed and error checking
2021-05-12 08:55:00 -04:00
MPIIO
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
MSCG
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
OPT
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
PERI
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
PLUGIN
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
POEMS
simplify with new error functions. replace static string buffers.
2021-05-05 21:12:06 -04:00
PYTHON
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
QEQ
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
REPLICA
Merge pull request #2758 from akohlmey/collected-small-changes
2021-05-11 19:31:12 -04:00
RIGID
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
SHOCK
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
SNAP
replace variable length array with explicit new/delete
2021-05-09 05:58:46 -04:00
SPIN
simplify with new error functions. replace static string buffers.
2021-05-05 21:12:06 -04:00
SRD
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
STUBS
add or correct some more LAMMPS header comments
2021-04-22 22:26:27 -04:00
USER-ADIOS
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-ATC
small fixes
2021-04-22 21:40:10 -04:00
USER-AWPMD
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-BOCS
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
USER-BROWNIAN
reformat with clang-format and related changes
2021-05-11 19:32:57 -04:00
USER-CGDNA
remove optional logflag argument from Error::message() and Error::warning()
2021-05-05 16:02:51 -04:00
USER-CGSDK
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
USER-COLVARS
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-DIFFRACTION
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-DPD
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
USER-DRUDE
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
USER-EFF
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
USER-FEP
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-H5MD
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-INTEL
Merge branch 'master' into multi_epcc
2021-05-12 06:16:52 -04:00
USER-LB
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-MANIFOLD
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-MEAMC
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-MESODPD
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
USER-MESONT
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
USER-MGPT
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-MISC
Merge pull request #2511 from samueljmcameron/fix_bd_sphere
2021-05-12 13:51:42 -04:00
USER-MOFFF
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-MOLFILE
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-NETCDF
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-OMP
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
USER-PACE
remove dead code
2021-05-09 05:58:54 -04:00
USER-PHONON
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-PLUMED
small fixes
2021-04-22 21:40:10 -04:00
USER-PTM
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
USER-QMMM
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-QTB
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-QUIP
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-REACTION
refactor strtok
2021-05-12 15:05:46 -04:00
USER-REAXC
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
USER-SCAFACOS
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-SDPD
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-SMD
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
USER-SMTBQ
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-SPH
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-TALLY
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-UEF
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-VTK
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
USER-YAFF
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
VORONOI
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
.gitignore
add USER-BROWNIAN package to various package management files
2021-05-11 17:59:02 -04:00
accelerator_kokkos.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
accelerator_omp.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
angle_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
angle_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
angle_hybrid.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
angle_hybrid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
angle_zero.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
angle_zero.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
angle.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
angle.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
arg_info.cpp
add support for processing "d_" and "i_" for DNAME and INAME, respectively
2021-02-01 09:07:15 -05:00
arg_info.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_map.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_map.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_masks.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_atomic.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_vec_atomic.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_body.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
atom_vec_body.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_charge.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_vec_charge.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_ellipsoid.cpp
pretty
2020-10-30 13:21:01 -04:00
atom_vec_ellipsoid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_hybrid.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
atom_vec_hybrid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_line.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
atom_vec_line.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_sphere.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
atom_vec_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec_tri.cpp
more Voigt clarifications
2021-02-10 09:58:53 -07:00
atom_vec_tri.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
atom_vec.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
atom_vec.h
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
atom.cpp
update/trim list of include files according to the IWYU principle
2021-04-24 13:22:39 -04:00
atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
balance.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
balance.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
body.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
body.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
bond_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
bond_hybrid.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
bond_hybrid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
bond_zero.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
bond_zero.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
bond.cpp
Replace localtime() with thread-safe fmt::localtime()
2021-05-07 19:53:18 -04:00
bond.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
change_box.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
change_box.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
citeme.cpp
use correct data type for storing hashes
2021-02-26 09:49:06 -05:00
citeme.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
comm_brick.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
comm_brick.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
comm_tiled.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
comm_tiled.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
comm.cpp
ensuring cutusermulti always created
2021-05-12 08:59:12 -06:00
comm.h
small fixed and error checking
2021-05-12 08:55:00 -04:00
command.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_adf.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_adf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_aggregate_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_aggregate_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_angle_local.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_angle_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_angle.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_angle.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_angmom_chunk.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_angmom_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_bond_local.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_bond_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_bond.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_bond.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_centro_atom.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_centro_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_centroid_stress_atom.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_centroid_stress_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_chunk_atom.cpp
fix bug due to adding ArgInfo
2021-04-26 11:02:41 -04:00
compute_chunk_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_chunk_spread_atom.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
compute_chunk_spread_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_cluster_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_cluster_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_cna_atom.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
compute_cna_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_com_chunk.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_com_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_com.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_com.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_contact_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_contact_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_coord_atom.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_coord_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_dihedral_local.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_dihedral_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_dihedral.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_dihedral.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_dipole_chunk.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_dipole_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_displace_atom.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_displace_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_erotate_sphere_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_erotate_sphere_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_erotate_sphere.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_erotate_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_fragment_atom.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
compute_fragment_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_global_atom.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_global_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_group_group.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_group_group.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_gyration_chunk.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_gyration_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_gyration.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_gyration.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_heat_flux.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_heat_flux.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_hexorder_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_hexorder_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_improper_local.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_improper_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_improper.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_improper.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_inertia_chunk.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_inertia_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_ke_atom.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_ke_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_ke.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_ke.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_msd_chunk.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_msd_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_msd.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_msd.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_omega_chunk.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_omega_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_orientorder_atom.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_orientorder_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_pair_local.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
compute_pair_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_pair.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_pair.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_pe_atom.cpp
Merge branch 'master' into thermo-energy
2021-02-08 15:24:29 -05:00
compute_pe_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_pe.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
compute_pe.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_pressure.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_pressure.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_property_atom.cpp
make use of utils::strdup()
2021-02-04 17:33:02 -05:00
compute_property_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_property_chunk.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_property_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_property_local.cpp
Updating to master
2021-02-05 17:01:32 -07:00
compute_property_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_rdf.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_rdf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_reduce_chunk.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_reduce_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_reduce_region.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_reduce_region.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_reduce.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
compute_reduce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_slice.cpp
Merge remote-tracking branch 'github/master' into arg-info-class
2021-02-02 11:33:01 -05:00
compute_slice.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_stress_atom.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_stress_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_chunk.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_temp_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_com.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_com.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_deform.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_deform.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_partial.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_partial.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_profile.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_temp_profile.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_ramp.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp_ramp.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_region.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
compute_temp_region.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp_sphere.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
compute_temp_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_temp.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_temp.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_torque_chunk.cpp
silence more compiler warnings
2021-04-23 16:57:39 -04:00
compute_torque_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_vacf.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
compute_vacf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute_vcm_chunk.cpp
simplify by using utils::strdup()
2021-03-18 20:22:08 -04:00
compute_vcm_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
compute.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
compute.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
create_atoms.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
create_atoms.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
create_bonds.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
create_bonds.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
create_box.cpp
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
create_box.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
delete_atoms.cpp
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
delete_atoms.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
delete_bonds.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
delete_bonds.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
Depend.sh
update build system to make it auto-adapt to include python support or not into MLIAP
2020-12-07 17:35:10 -05:00
deprecated.cpp
add missing return
2021-03-30 13:34:31 -04:00
deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dihedral_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
dihedral_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dihedral_hybrid.cpp
reduce compiler warnings by avoiding to redeclare variables so they shadow others
2021-04-23 15:35:45 -04:00
dihedral_hybrid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dihedral_zero.cpp
add missing writedata=1 setting in constructor
2021-02-24 20:41:53 -05:00
dihedral_zero.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dihedral.cpp
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
dihedral.h
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
displace_atoms.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
displace_atoms.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
domain.cpp
fix bug causing segfaults
2021-04-02 17:21:34 -04:00
domain.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_atom.cpp
fix bug
2021-03-15 11:27:27 -04:00
dump_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_cfg.cpp
Adopt utils::strdup in dump styles
2021-03-19 15:34:43 -04:00
dump_cfg.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_custom.cpp
fix missing argument bug in velocity code and simplify a second case
2021-04-23 18:47:02 -04:00
dump_custom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_dcd.cpp
make the output more fortran-like
2021-05-07 20:14:28 -04:00
dump_dcd.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
dump_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_image.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
dump_image.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_local.cpp
simplify
2021-04-23 18:47:57 -04:00
dump_local.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_movie.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
dump_movie.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump_xyz.cpp
Adopt utils::strdup in dump styles
2021-03-19 15:34:43 -04:00
dump_xyz.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
dump.cpp
simplify and avoid temporary buffers when piping to/from gzip
2021-04-07 23:26:21 -04:00
dump.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
error.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
error.h
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
exceptions.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
Fetch.sh
big update
2020-08-24 16:54:16 +02:00
file_writer.h
small fixes
2021-04-22 21:40:10 -04:00
finish.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
finish.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_adapt.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
fix_adapt.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_addforce.cpp
use more precise detection of verlet and respa run styles
2021-03-30 07:37:39 -04:00
fix_addforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_atom.cpp
cast timestep related expressions to bigint before they can overflow
2021-02-05 19:41:17 -05:00
fix_ave_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_chunk.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
fix_ave_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_correlate.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_ave_correlate.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_histo_weight.cpp
fix bugs found by or avoid warnings from coverity scan
2021-02-26 15:55:20 -05:00
fix_ave_histo_weight.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_histo.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_ave_histo.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_ave_time.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
fix_ave_time.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_aveforce.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_aveforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_balance.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_balance.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_box_relax.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_box_relax.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_controller.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_controller.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_deform.cpp
update includes
2021-05-09 11:33:53 -04:00
fix_deform.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_drag.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_drag.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_dt_reset.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_dt_reset.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_dummy.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_dummy.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_enforce2d.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_enforce2d.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_external.cpp
change virial_atom to virial_peratom
2021-01-21 12:00:16 -07:00
fix_external.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_gravity.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_gravity.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_group.cpp
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
fix_group.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_halt.cpp
continue adding ArgInfo support
2021-02-03 10:52:16 -05:00
fix_halt.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_heat.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
fix_heat.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_indent.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_indent.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_langevin.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_langevin.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_lineforce.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_lineforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_minimize.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
fix_minimize.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_momentum.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
fix_momentum.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_move.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_move.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_neigh_history.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
fix_neigh_history.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nh_sphere.cpp
remove use of math_vector.h from /sphere integrator fixes
2021-01-15 16:55:23 -05:00
fix_nh_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nh.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
fix_nh.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nph_sphere.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_nph_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nph.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_nph.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_npt_sphere.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_npt_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_npt.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_npt.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_numdiff.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_numdiff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nve_limit.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_nve_limit.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nve_noforce.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_nve_noforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nve_sphere.cpp
remove use of math_vector.h from /sphere integrator fixes
2021-01-15 16:55:23 -05:00
fix_nve_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nve.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_nve.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nvt_sllod.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_nvt_sllod.h
…
fix_nvt_sphere.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_nvt_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_nvt.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_nvt.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_planeforce.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_planeforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_press_berendsen.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_press_berendsen.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_print.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_print.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_property_atom.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_property_atom.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_read_restart.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
fix_read_restart.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_recenter.cpp
use more precise detection of verlet and respa run styles
2021-03-30 07:37:39 -04:00
fix_recenter.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_respa.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
fix_respa.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_restrain.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_restrain.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_setforce.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_setforce.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_spring_chunk.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_spring_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_spring_rg.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_spring_rg.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_spring_self.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_spring_self.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_spring.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_spring.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_store_force.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_store_force.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_store_state.cpp
more typecasts to double to avoid 32-bit int overflows when computing memory usage
2021-02-04 14:35:38 -05:00
fix_store_state.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_store.cpp
avoid overflow when computing memory address offsets on 64-bit machines
2021-02-05 19:42:07 -05:00
fix_store.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_temp_berendsen.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_temp_berendsen.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_temp_csld.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_temp_csld.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_temp_csvr.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_temp_csvr.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_temp_rescale.cpp
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
fix_temp_rescale.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_tmd.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix_tmd.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_vector.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
fix_vector.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_viscous.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_viscous.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_harmonic.cpp
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -07:00
fix_wall_harmonic.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_lj93.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_lj93.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_lj126.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_lj126.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_lj1043.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_lj1043.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_morse.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
fix_wall_morse.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_reflect.cpp
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
fix_wall_reflect.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall_region.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_wall_region.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix_wall.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
fix_wall.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fix.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
fix.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
fmtlib_format.cpp
update fmtlib to version 7.1.3
2020-11-25 16:51:43 -05:00
fmtlib_os.cpp
update fmtlib to version 7.1.3
2020-11-25 16:51:43 -05:00
force.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
force.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
group.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
group.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
hashlittle.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
hashlittle.h
…
image.cpp
Fix bug in dump image ssao depth shading
2021-02-19 15:20:09 -07:00
image.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance_group.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
imbalance_group.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance_neigh.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
imbalance_neigh.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance_store.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
imbalance_store.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance_time.cpp
stabilize timer based load balancing by adding minimum time of 0.1 seconds
2021-03-05 05:40:28 -05:00
imbalance_time.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance_var.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
imbalance_var.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
imbalance.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
imbalance.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
improper_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
improper_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
improper_hybrid.cpp
silence compiler warnings
2021-04-23 15:51:16 -04:00
improper_hybrid.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
improper_zero.cpp
add missing writedata=1 setting in constructor
2021-02-24 20:41:53 -05:00
improper_zero.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
improper.cpp
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
improper.h
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
info.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
info.h
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
input.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
input.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
Install.sh
…
integrate.cpp
initial attempt to refactor the citation logging in LAMMPS
2020-12-27 12:14:12 -05:00
integrate.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
irregular.cpp
make consistent with the rest of LAMMPS
2021-05-07 19:10:36 -04:00
irregular.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
kspace_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
kspace_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
kspace.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
kspace.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lammps.cpp
finalize available GPU hardware introspection functions
2021-05-10 16:34:27 -04:00
lammps.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lammpsplugin.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lattice.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
lattice.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
library.cpp
add GPU device query functions to library interface and its wrappers
2021-05-11 14:59:49 -04:00
library.h
add GPU device query functions to library interface and its wrappers
2021-05-11 14:59:49 -04:00
lmppython.cpp
silence compiler warnings
2021-04-23 16:19:57 -04:00
lmppython.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lmprestart.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lmptype.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
lmpwindows.h
add missing LAMMPS header comment
2021-04-22 21:38:29 -04:00
main.cpp
catch format errors and print suitable error message
2021-03-05 18:04:05 -05:00
Make.sh
big update
2020-08-24 16:54:16 +02:00
Makefile
add USER-BROWNIAN package to various package management files
2021-05-11 17:59:02 -04:00
Makefile.list
big update
2020-08-24 16:54:16 +02:00
Makefile.package.empty
…
Makefile.package.settings.empty
…
Makefile.print
…
math_const.h
rename MY_CBRT2 to MY_CUBEROOT2
2021-05-07 18:43:21 -04:00
math_eigen_impl.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
math_eigen.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
math_eigen.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
math_extra.cpp
silence compiler warnings
2021-04-23 16:19:57 -04:00
math_extra.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
math_special.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
math_special.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
memory.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
memory.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_cg.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
min_cg.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_fire_old.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
min_fire_old.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_fire.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
min_fire.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_hftn.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
min_hftn.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_linesearch.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
min_linesearch.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_quickmin.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
min_quickmin.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min_sd.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
min_sd.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
min.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
min.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
minimize.cpp
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
minimize.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
modify.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
modify.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
molecule.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
molecule.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
mpiio.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
my_page.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
my_page.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
my_pool_chunk.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
my_pool_chunk.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
nbin_multi.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nbin_multi.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nbin_standard.cpp
Updating to master
2021-02-05 17:01:32 -07:00
nbin_standard.h
whitespace fixes
2021-05-12 06:30:52 -04:00
nbin.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nbin.h
whitespace fixes
2021-05-12 06:30:52 -04:00
neigh_list.cpp
copy NeighRequest::id to NeighList::id so we can identify them when a style has multiple requests
2021-04-02 12:14:34 -04:00
neigh_list.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
neigh_request.cpp
whitespace
2021-02-12 06:15:05 -06:00
neigh_request.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
neighbor.cpp
whitespace
2021-05-12 13:49:41 -04:00
neighbor.h
whitespace fixes
2021-05-12 06:30:52 -04:00
npair_copy.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_copy.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_bin_atomonly.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_full_bin_atomonly.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_bin_ghost.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_full_bin_ghost.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_bin.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_full_bin.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_multi_old.cpp
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_full_multi_old.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_full_multi.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
npair_full_multi.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_nsq_ghost.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_full_nsq_ghost.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_full_nsq.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_full_nsq.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_bin_atomonly_newton.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_bin_atomonly_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_bin_newtoff_ghost.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_bin_newtoff_ghost.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_bin_newtoff.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_bin_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_bin_newton_tri.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_bin_newton_tri.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_bin_newton.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_bin_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_multi_newtoff.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_newtoff.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_newton_tri.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_newton_tri.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_newton.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_newton.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_multi_old_newtoff.cpp
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_multi_old_newtoff.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_multi_old_newton_tri.cpp
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_multi_old_newton_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_multi_old_newton.cpp
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_multi_old_newton.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_nsq_newtoff_ghost.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_nsq_newtoff_ghost.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_nsq_newtoff.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_nsq_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_nsq_newton.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_nsq_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_respa_bin_newtoff.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_respa_bin_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_respa_bin_newton_tri.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_respa_bin_newton_tri.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_respa_bin_newton.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_respa_bin_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_respa_nsq_newtoff.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_respa_nsq_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_respa_nsq_newton.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
npair_half_respa_nsq_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_size_bin_newtoff.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_size_bin_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_size_bin_newton_tri.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_size_bin_newton_tri.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_size_bin_newton.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_size_bin_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_size_multi_newtoff.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
npair_half_size_multi_newtoff.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_size_multi_newton_tri.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_size_multi_newton_tri.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_size_multi_newton.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_size_multi_newton.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
npair_half_size_multi_old_newtoff.cpp
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_size_multi_old_newtoff.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_size_multi_old_newton_tri.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
npair_half_size_multi_old_newton_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_size_multi_old_newton.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
npair_half_size_multi_old_newton.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_half_size_nsq_newtoff.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_size_nsq_newtoff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_half_size_nsq_newton.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_half_size_nsq_newton.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
npair_halffull_newtoff.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_halffull_newtoff.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_halffull_newton.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_halffull_newton.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_skip_respa.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_skip_respa.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_skip_size_off2on_oneside.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_skip_size_off2on_oneside.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_skip_size_off2on.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_skip_size_off2on.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_skip_size.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_skip_size.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair_skip.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
npair_skip.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
npair.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
npair.h
whitespace fixes
2021-05-12 06:30:52 -04:00
nstencil_full_bin_2d.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
nstencil_full_bin_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_bin_3d.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
nstencil_full_bin_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_ghost_bin_2d.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
nstencil_full_ghost_bin_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_ghost_bin_3d.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
nstencil_full_ghost_bin_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_multi_2d.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nstencil_full_multi_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_multi_3d.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nstencil_full_multi_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_multi_old_2d.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_full_multi_old_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_full_multi_old_3d.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_full_multi_old_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_bin_2d_tri.cpp
Updating to master
2020-12-19 15:28:02 -07:00
nstencil_half_bin_2d_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_bin_2d.cpp
Updating to master
2020-12-19 15:28:02 -07:00
nstencil_half_bin_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_bin_3d_tri.cpp
Updating to master
2020-12-19 15:28:02 -07:00
nstencil_half_bin_3d_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_bin_3d.cpp
Updating to master
2020-12-19 15:28:02 -07:00
nstencil_half_bin_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_2d_tri.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
nstencil_half_multi_2d_tri.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
nstencil_half_multi_2d.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nstencil_half_multi_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_3d_tri.cpp
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
nstencil_half_multi_3d_tri.h
remove executable permissions on non-executable files
2021-05-12 06:32:58 -04:00
nstencil_half_multi_3d.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
nstencil_half_multi_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_old_2d_tri.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_half_multi_old_2d_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_old_2d.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_half_multi_old_2d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_old_3d_tri.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_half_multi_old_3d_tri.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil_half_multi_old_3d.cpp
Renaming multi nstencils to multi/old
2020-12-19 17:39:20 -07:00
nstencil_half_multi_old_3d.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
nstencil.cpp
small fixed and error checking
2021-05-12 08:55:00 -04:00
nstencil.h
whitespace fixes
2021-05-12 06:30:52 -04:00
ntopo_angle_all.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_angle_all.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_angle_partial.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_angle_partial.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_angle_template.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_angle_template.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_bond_all.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_bond_all.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_bond_partial.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_bond_partial.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_bond_template.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_bond_template.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_dihedral_all.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_dihedral_all.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_dihedral_partial.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_dihedral_partial.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_dihedral_template.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_dihedral_template.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_improper_all.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_improper_all.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_improper_partial.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_improper_partial.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo_improper_template.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
ntopo_improper_template.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
ntopo.cpp
add typecast to avoid (unlikely but possible) integer overflows.
2021-02-02 17:27:04 -05:00
ntopo.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
omp_compat.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
output.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
output.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pack.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
Package.sh
…
pair_beck.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_beck.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_born_coul_dsf.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_born_coul_dsf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_born_coul_wolf.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_born_coul_wolf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_born.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_born.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_buck_coul_cut.cpp
whitespace fixes
2021-02-28 12:03:50 -05:00
pair_buck_coul_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_buck.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_buck.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_cut_global.cpp
add pair style coul/cut/global and fix restart/data bugs in coul/cut
2021-04-10 00:25:00 -04:00
pair_coul_cut_global.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_cut.cpp
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
pair_coul_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_debye.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_coul_debye.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_dsf.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_coul_dsf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_streitz.cpp
Remove unused defines
2021-04-20 11:44:39 -04:00
pair_coul_streitz.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_coul_wolf.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_coul_wolf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_dpd_tstat.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_dpd_tstat.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_dpd.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_dpd.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_gauss.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_gauss.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_hybrid_overlay.cpp
simplify hybrid coeff parsing. check for number is already done with conversion
2021-04-08 17:44:13 -04:00
pair_hybrid_overlay.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_hybrid_scaled.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
pair_hybrid_scaled.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_hybrid.cpp
whitespace fixes
2021-05-12 06:30:52 -04:00
pair_hybrid.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
pair_lj96_cut.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
pair_lj96_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cubic_const.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cubic.cpp
increase precision of lj/cubic constants and document how to compute them
2020-12-18 22:33:56 -05:00
pair_lj_cubic.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cut_coul_cut.cpp
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
pair_lj_cut_coul_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cut_coul_debye.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_cut_coul_debye.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cut_coul_dsf.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_cut_coul_dsf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cut_coul_wolf.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_cut_coul_wolf.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_cut.cpp
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
pair_lj_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_expand.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_expand.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_gromacs_coul_gromacs.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_gromacs_coul_gromacs.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_gromacs.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_lj_gromacs.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_relres.cpp
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_relres.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_smooth_linear.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_smooth_linear.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_lj_smooth.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_lj_smooth.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_mie_cut.cpp
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
pair_mie_cut.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_morse.cpp
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
pair_morse.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_soft.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_soft.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_table.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
pair_table.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_ufm.cpp
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
pair_ufm.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_yukawa.cpp
Add missing copymode to parent classes
2021-05-14 10:08:05 -06:00
pair_yukawa.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_zbl_const.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_zbl.cpp
move static constants in pair style out of the globally included header
2020-12-17 14:03:15 -05:00
pair_zbl.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair_zero.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
pair_zero.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
pair.cpp
Merge branch 'master' into multi_epcc
2021-05-12 06:16:52 -04:00
pair.h
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
pointers.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
potential_file_reader.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
potential_file_reader.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
procmap.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
procmap.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
Purge.list
update build system to make it auto-adapt to include python support or not into MLIAP
2020-12-07 17:35:10 -05:00
random_mars.cpp
Update to latest changes from upstream
2021-05-11 17:49:03 -04:00
random_mars.h
Corrected implementation of ellipsoidal dynamics, made ashared base class for the time-integrators, templated the time-integrators (and so reversed changes that this PR had previously made to random_mars src files), combined docs of all three integrators.
2021-04-30 16:30:04 +01:00
random_park.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
random_park.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
rcb.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
rcb.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
read_data.cpp
Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
2021-04-28 18:13:31 -04:00
read_data.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
read_dump.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
read_dump.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
read_restart.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
read_restart.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
reader_native.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
reader_native.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
reader_xyz.cpp
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -05:00
reader_xyz.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
reader.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
reader.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_block.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
region_block.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_cone.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
region_cone.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_cylinder.cpp
apply utils::strdup() in a few more cases
2021-02-04 17:52:32 -05:00
region_cylinder.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_deprecated.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
region_deprecated.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_intersect.cpp
simplify by using utils::strdup()
2021-03-16 08:56:52 -04:00
region_intersect.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_plane.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
region_plane.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_prism.cpp
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
region_prism.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_sphere.cpp
IWYU reported header updates
2021-04-13 00:47:49 -04:00
region_sphere.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region_union.cpp
simplify by using utils::strdup()
2021-03-16 08:56:52 -04:00
region_union.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
region.cpp
simplify by using utils::strdup()
2021-03-16 08:56:52 -04:00
region.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
replicate.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
replicate.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
rerun.cpp
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
rerun.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
reset_atom_ids.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
reset_atom_ids.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
reset_mol_ids.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
reset_mol_ids.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
respa.cpp
standardize flags for energy/virial computations in forces
2020-11-16 08:13:33 -07:00
respa.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
run.cpp
Remove unused defines
2021-04-20 11:44:39 -04:00
run.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
set.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
set.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
special.cpp
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
special.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
suffix.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
table_file_reader.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
table_file_reader.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
tabular_function.cpp
reformat
2021-05-05 12:01:39 -04:00
tabular_function.h
remove unused functions
2021-05-05 12:08:12 -04:00
text_file_reader.cpp
add info to docs
2021-04-26 12:27:34 -04:00
text_file_reader.h
for consistent behavior we must not close the file pointer when it was passed as argument
2021-04-26 12:12:19 -04:00
thermo.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
thermo.h
implement "thermo_modify warn" to control amount of warnings
2021-05-03 14:21:16 -04:00
timer.cpp
Use fmt::gmtime in timer.cpp
2021-05-10 19:09:44 -04:00
timer.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
tokenizer.cpp
Use copy-and-swap in Tokenizers
2021-04-26 14:28:13 -04:00
tokenizer.h
Use copy-and-swap in Tokenizers
2021-04-26 14:28:13 -04:00
universe.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
universe.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
update.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
update.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
utils.cpp
simplify code by appling varargs messages and warnings
2021-05-05 18:19:12 -04:00
utils.h
Merge remote-tracking branch 'origin/master' into varargs-log-error-functions
2021-04-28 18:13:31 -04:00
variable.cpp
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
variable.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
velocity.cpp
fix missing argument bug in velocity code and simplify a second case
2021-04-23 18:47:02 -04:00
velocity.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
verlet.cpp
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
verlet.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
version.h
step version strings for next patch release
2021-04-07 15:07:06 -04:00
write_coeff.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
write_coeff.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
write_data.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
write_data.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
write_dump.cpp
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
write_dump.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00
write_restart.cpp
Use varargs version of Error:all() and Error::one() where applicable
2021-04-25 21:30:51 -04:00
write_restart.h
make LAMMPS homepage URL and C++ indicator comments consistent
2021-04-22 21:26:07 -04:00