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
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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
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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
304d6876f4
a few bug fixes for support for multi and triclinic in CommTiled
2020-08-05 15:44:02 -06:00
c2ed040529
simplify
2020-08-03 22:49:21 -04:00
0db1c66b03
triclinic compatibility
2020-08-03 20:16:20 -04:00
6dcd962718
fix indentation and whitespace
2020-08-03 16:09:11 -04:00
a6b3ee7a07
fix bugs in comm style tiled with multi-cutoff
2020-08-03 16:08:13 -04:00
9db3004d0c
Merge branch 'master' into multi-comm-tiled
2020-08-03 14:08:53 -04:00
dd001e80d2
Merge branch 'master' into rcb-tiled-tri
2020-07-29 20:37:28 -04:00
b402b00882
Merge branch 'master' into comm_tiled_sendself_fix
2020-07-29 18:23:51 -04:00
59ff6b7abc
Add comment explaining the change
2020-07-29 16:33:54 -04:00
cb98fa00da
enable CommStyle tiled and load-balancing to work for triclinic
2020-07-29 14:30:49 -06:00
9db34bc18e
cosmetic changes to CommTiled for comm multi style
2020-07-27 16:15:41 -06:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
e982f418d3
remove whitespace issues
2020-02-05 13:54:56 -05:00
c262d08e84
remove comments
2019-12-04 12:32:04 -05:00
06964c58de
Merge branch 'master' into multi-comm-tiled
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Conflicts resolved:
src/comm_tiled.cpp
2019-11-27 12:12:03 -05:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
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more robust version of atom exchange size
2019-07-30 17:09:18 -04:00
2e6850835f
Merge pull request #1542 from akohlmey/improve-include-consistency
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Improve Consistency of Include Statements (mostly complete)
2019-07-29 20:12:41 -04:00
c098582df8
refactor communication cutoff estimator. move it to Comm class. and adjust heuristics.
2019-07-24 17:27:35 -04:00
be1522d16d
add warning to Comm class against zero communication cutoff
2019-07-24 14:42:17 -04:00
941607595a
one more change
2019-07-10 08:48:33 -06:00
89af88bd10
more changes to robustify comm buf_send length
2019-07-10 08:41:27 -06:00
2fd327d057
more robust version of atom exchange size
2019-07-09 16:17:54 -06:00
