4dbfa5483b
Fix memory leak
2024-02-27 14:50:20 -07:00
86b7560740
Init pointers, etc.
2024-02-27 14:13:27 -07:00
214ea5209e
Missed changes
2024-02-26 16:34:42 -07:00
187a35d7b2
convert a few more defines to static constexpr
2024-02-05 23:57:41 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
8ed42f6e4b
remove unused communication API
2023-05-07 21:36:29 -04:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
5824534ac6
use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
2022-10-27 07:03:25 -04:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
ef4e41d2a2
programming style and format updates
2022-04-12 22:52:07 -04:00
92a968a8a9
Resolving merge conflicts
2022-03-23 14:28:27 -06:00
de4a9f268e
rename reverse communication calls
2022-02-21 21:18:28 -05:00
4c0192cae1
rename forward communication functions for pair, fix, compute, and dump
2022-02-21 21:15:10 -05:00
d7f7835069
Fix merge conflicts, minor style fixes
2021-11-01 18:13:06 -06:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
bb720626e3
Adding files for BPM
2021-08-27 09:22:56 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -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
9ef0395313
whitespace fixes
2021-05-12 06:30:52 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
fa386c0e96
Changing how multi/cutoff works, changing collection indexing in user args
2021-05-04 17:12:17 -06:00
bd6dd658d6
Updating to master, misc style changes
2021-04-07 17:21:16 -06:00
58e4938b0f
Updating examples, updating multi in info, fixing memory issues in comm/neighbor
2021-02-08 10:50:57 -07:00
de1205c5a9
Fixing misc valgrind issues, particularly with resizing ncollections
2021-02-07 20:38:24 -07:00
852e4efc6f
Updating documentation/examples, patching comm_modify cutoff/multi command
2021-02-02 14:50:30 -07:00
d79a2c3a02
Adding collection array, new user arguments, and multi communication
2021-02-02 09:39:13 -07:00
2c92737cd5
Resolve merge conflicts
2021-01-13 09:42:57 -07:00
a25c77e512
Misc comments, typos, and cleanups
2021-01-12 23:04:14 -07:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
b421c3d676
Adding arguments, initialization, and communication for custom groupings
2020-12-22 10:20:06 -07:00
0a36baf86d
Updating naming in other classes
2020-12-19 17:51:09 -07:00
c1e3bc5794
Updating to master
2020-12-19 15:28:02 -07:00
9b9e5022d6
initializing comm distances, temporarily sorting nlit dumps
2020-11-26 14:57:48 -07:00
00a74558ff
Fixing typos
2020-11-22 20:01:14 -07:00
943a187be7
Renamed to multi2, initial stencil edits
2020-11-10 16:39:56 -07:00
12288630f5
Fixing comm and renaming bytype
2020-11-09 16:32:11 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
58e27a9c51
More edits and documentation
2020-10-09 13:50:20 -06:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -04:00
cebf6d33ba
Merge pull request #2358 from eagunn/iss2345
...
Replace instances of NULL with nullptr
2020-09-15 17:41:24 -04:00
618b08dcfc
Merge branch 'master' into symbolic-atom-constants
2020-09-15 14:58:13 -04:00
0183e999c9
consistently return "memory_usage" as double.
2020-09-15 01:59:58 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
828ce84df5
add check for number of local atom indices overflowing neighbor lists for molecular systems
2020-09-11 22:09:09 -04:00
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
5f83edd127
remove references to non-existent MPI_Statuses
2020-08-05 17:24:09 -06:00
65574be178
whitespace fixes
2020-08-05 17:52:16 -04:00
