8bf016eaef
use references when looping over fixes from list
2021-10-25 21:41:57 -04:00
d0416757b7
simplify using new APIs
2021-10-24 18:00:15 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
898f8086db
consolidate binary() member functions of Comm and Balance into utils::binary_search()
2021-09-06 16:58:14 -04:00
d4de26f6ef
fix whitespace issues
2021-08-19 17:28:48 -04:00
2119b59d97
code documentation tweaks
2021-08-18 15:49:23 -06:00
1c5bdadcfb
small alteration to code that assigns grid pts to procs
2021-08-18 15:43:54 -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
cac634076d
ensuring cutusermulti always created
2021-05-12 08:59:12 -06:00
7f94712839
Explicitly defining default ncollections
2021-05-12 08:17:14 -06:00
6b45f9052f
small fixed and error checking
2021-05-12 08:55:00 -04:00
9ef0395313
whitespace fixes
2021-05-12 06:30:52 -04:00
f0e52981f2
Merge branch 'master' into multi_epcc
2021-05-12 06:16:52 -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
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
f12f9166a5
Resolving merge conflicts, updating URLs
2021-05-05 11:19:44 -06:00
fa386c0e96
Changing how multi/cutoff works, changing collection indexing in user args
2021-05-04 17:12:17 -06:00
6b04ebd617
Merge branch 'master' into varargs-log-error-functions
2021-04-26 13:27:58 -04:00
7e7a448a08
remove the old versions of the utility function and use the new
2021-04-24 21:33:36 -04:00
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
bd6dd658d6
Updating to master, misc style changes
2021-04-07 17:21:16 -06:00
d54384dd91
Merge branch 'master' into multi_epcc
2021-04-07 16:34:01 -06:00
ece2433208
use utils::strdup() for duplicating strings
2021-03-15 17:55:19 -04:00
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
77402bdbc8
avoid overflows when computing memory offsets and allocating memory
2021-02-06 18:14:27 -05:00
56841ba912
Fixing typo in pair gran, fixing bugs in communication and neighbor
2021-02-02 18:05:19 -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
a25c77e512
Misc comments, typos, and cleanups
2021-01-12 23:04:14 -07:00
d5f34f6296
Examples and documentation
2021-01-08 15:27:23 -07:00
5ae32146eb
Adding full neighbor list check for new reduced comm
2020-12-20 17:18:32 -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
6308248a44
Replacing binsizex with multi2 version
2020-11-30 20:55:04 -07:00
8a0dac90ca
Removing redundant k variables in npair
2020-11-29 19:57:14 -07:00
2c79fbebe8
Adding todo note for comm, testing for full nlist
2020-11-29 17:48:43 -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
b1b014aed3
Fixing merge conflicts
2020-10-02 15:09:47 -06:00
93a0d4c096
fix up some comments
2020-09-12 14:26:34 -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
390c6ba106
rechecking some corefiles with IWYU after the many updates
2020-09-03 15:28:07 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
9ceb0fd6a0
update output formatting and send all to screen and log
2020-07-22 22:51:47 -04:00
