|
|
09c19a936b
|
update URLs in source code and manual
|
2021-05-24 14:18:20 -04:00 |
|
|
|
e584a3b958
|
Must use explicit scope on virtual functions when called from constructor
|
2021-05-19 16:57:15 -04:00 |
|
|
|
7fcd449864
|
apply clang-format to all headers with some exceptions
|
2021-05-14 19:16:07 -04:00 |
|
|
|
aa6c6169a8
|
Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/KOKKOS/nbin_kokkos.h
# src/KOKKOS/nbin_ssa_kokkos.h
# src/MOLECULE/bond_fene_expand.h
# src/USER-DPD/nbin_ssa.h
# src/USER-DPD/nstencil_half_bin_2d_ssa.h
# src/USER-DPD/nstencil_half_bin_3d_ssa.h
# src/USER-INTEL/nbin_intel.h
# src/USER-MISC/fix_propel_self.cpp
# src/USER-OMP/npair_full_multi_old_omp.h
# src/USER-OMP/npair_half_multi_old_newton_omp.h
# src/USER-OMP/npair_half_size_multi_newtoff_omp.h
# src/USER-OMP/npair_halffull_newtoff_omp.h
# src/USER-OMP/npair_halffull_newton_omp.h
# src/USER-OMP/npair_skip_omp.h
# src/main.cpp
# src/nbin_standard.h
# src/npair_full_multi_old.h
# src/npair_halffull_newtoff.h
# src/npair_halffull_newton.h
# src/npair_skip.h
# src/npair_skip_respa.h
# src/npair_skip_size.h
# src/npair_skip_size_off2on.h
# src/npair_skip_size_off2on_oneside.h
# src/nstencil_full_bin_2d.h
# src/nstencil_full_bin_3d.h
# src/nstencil_full_ghost_bin_2d.h
# src/nstencil_full_ghost_bin_3d.h
# src/nstencil_full_multi_2d.h
# src/nstencil_full_multi_3d.h
# src/nstencil_full_multi_old_2d.h
# src/nstencil_full_multi_old_3d.h
# src/nstencil_half_bin_2d_newtoff.cpp
# src/nstencil_half_bin_3d_newtoff.cpp
# src/nstencil_half_bin_3d_newton_tri.h
# src/nstencil_half_ghost_bin_2d_newtoff.cpp
# src/nstencil_half_ghost_bin_2d_newtoff.h
# src/nstencil_half_ghost_bin_3d_newtoff.cpp
# src/nstencil_half_ghost_bin_3d_newtoff.h
# src/nstencil_half_multi_2d.h
# src/nstencil_half_multi_2d_newtoff.h
# src/nstencil_half_multi_2d_newton_tri.h
# src/nstencil_half_multi_2d_tri.h
# src/nstencil_half_multi_3d_newtoff.h
# src/nstencil_half_multi_3d_newton_tri.h
|
2021-05-14 15:24:02 -04:00 |
|
|
|
8617770592
|
Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
|
2021-05-12 13:51:42 -04:00 |
|
|
|
d8291eea7b
|
Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
|
2021-05-11 21:49:48 -04:00 |
|
|
|
ee546e2fa3
|
Merge pull request #2758 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
|
2021-05-11 19:31:12 -04:00 |
|
|
|
92c5951d6c
|
Update to latest changes from upstream
|
2021-05-11 17:49:03 -04:00 |
|
|
|
af6eae29d4
|
reformat else statements
|
2021-05-11 13:42:34 -04:00 |
|
|
|
3eef759bb1
|
Merge pull request #2749 from akohlmey/varargs-message-warning
Make warning and info messages vararg compatible and implement "thermo_modify warn"
|
2021-05-10 13:41:23 -04:00 |
|
|
|
bffee8dd6a
|
silence compiler warning
|
2021-05-09 17:44:12 -04:00 |
|
|
|
09d59a981e
|
fix typo reported on MatSci forum
|
2021-05-07 07:23:52 -04:00 |
|
|
|
d1941392d3
|
disable clang-format for all existing .cpp files (for now)
|
2021-05-05 23:53:38 -04:00 |
|
|
|
22e93468d6
|
simplify code by appling varargs messages and warnings
|
2021-05-05 18:19:12 -04:00 |
|
|
|
a23e034ced
|
silence compiler warnings
|
2021-05-05 16:56:45 -04:00 |
|
|
|
7f034b2ef7
|
replace replicated Dihedral/Improper problem warning with function in base class
|
2021-05-05 16:54:40 -04:00 |
|
|
|
9f4da1128b
|
remove optional logflag argument from Error::message() and Error::warning()
|
2021-05-05 16:02:51 -04:00 |
|
|
|
ad8dc606e9
|
protect style macros in headers
|
2021-04-30 15:14:41 -04:00 |
|
|
|
a1665fddc8
|
next iteration of preparing for clang-format
|
2021-04-30 13:51:14 -04:00 |
|
|
|
04ee87af0c
|
Merge branch 'master' into prepare-clang-format
|
2021-04-30 13:29:45 -04:00 |
|
|
|
6f5881e151
|
Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
|
2021-04-30 13:26:16 -04:00 |
|
|
|
980244dd0c
|
add protection comments
|
2021-04-27 22:31:01 -04:00 |
|
|
|
6b04ebd617
|
Merge branch 'master' into varargs-log-error-functions
|
2021-04-26 13:27:58 -04:00 |
|
|
|
e9e0bb71b6
|
Use varargs version of Error:all() and Error::one() where applicable
|
2021-04-25 21:30:51 -04:00 |
|
|
|
4738337e47
|
update/trim list of include files according to the IWYU principle
|
2021-04-24 13:22:39 -04:00 |
|
|
|
d60c630e56
|
cosmetic changes: whitespace and include file order
|
2021-04-23 15:05:06 -04:00 |
|
|
|
49b540381c
|
Merge branch 'master' into dpd_extended
|
2021-04-23 15:03:03 -04:00 |
|
|
|
2e63d126e3
|
change dir to MISC
|
2021-04-23 15:49:11 +02:00 |
|
|
|
ec7d3410f3
|
add or correct some more LAMMPS header comments
|
2021-04-22 22:26:27 -04:00 |
|
|
|
df7fe4431f
|
make LAMMPS homepage URL and C++ indicator comments consistent
|
2021-04-22 21:26:07 -04:00 |
|
|
|
d2cdb318ab
|
apply new logmesg() overload to a bunch of cases.
|
2021-04-21 23:38:45 -04:00 |
|
|
|
4ed57cb757
|
Merge pull request #2705 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2021-04-16 17:07:39 -04:00 |
|
|
|
75579fc100
|
take advantage of having the common Command base class to unify code paths
|
2021-04-14 07:05:00 -04:00 |
|
|
|
b53822da46
|
provide Command base class in command.h for deriving command styles from
|
2021-04-13 17:47:00 -04:00 |
|
|
|
3b2c0871cc
|
add and use Neighbor::modify_params() convenience function
|
2021-04-13 14:53:03 -04:00 |
|
|
|
183b30abd7
|
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
|
2021-03-30 18:30:22 -04:00 |
|
|
|
9058216a54
|
silence compiler warnings
|
2021-03-29 14:11:56 -04:00 |
|
|
|
180d2895c4
|
Merge pull request #2678 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2021-03-29 14:05:08 -04:00 |
|
|
|
1e3f1c584c
|
simplify by using utils::strdup() fmt::format() and reorder includes
|
2021-03-29 08:12:37 -04:00 |
|
|
|
806f4e73ed
|
make dihedral style table/cut a derived class from table and remove redundant code
|
2021-03-29 07:32:43 -04:00 |
|
|
|
e481eb1154
|
simplify by using utils::strdup() fmt::format() and reorder includes
|
2021-03-29 07:29:14 -04:00 |
|
|
|
b32570c15e
|
simplify by using utils::strdup() and reorder includes
|
2021-03-28 22:22:13 -04:00 |
|
|
|
0b73ab96d2
|
avoid replicated code, consolidate variables and element mapping
|
2021-03-27 12:09:36 -04:00 |
|
|
|
ca1496e028
|
simplify
|
2021-03-22 21:36:25 -04:00 |
|
|
|
dd0d06e373
|
fix a few more issues in USER-OMP and update indentation
|
2021-02-24 20:45:07 -05:00 |
|
|
|
09192d63a5
|
plug another memory leak
|
2021-02-24 19:56:12 -05:00 |
|
|
|
c401d21c38
|
update include statements to follow conventions
|
2021-02-24 19:49:11 -05:00 |
|
|
|
4245614c0d
|
plug memory leaks
|
2021-02-24 19:15:02 -05:00 |
|
|
|
7efacdc911
|
correctly handle the case of n=1. clean up some ugliness
|
2021-02-24 18:37:39 -05:00 |
|
|
|
d26c744e54
|
should use ev_init() not ev_setup()
|
2021-02-09 09:17:08 -05:00 |
|
