00a74558ff
Fixing typos
2020-11-22 20:01:14 -07:00
9a3ece75f2
Batch 1 of typo/bug fixes
2020-11-10 23:30:58 -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
b1b014aed3
Fixing merge conflicts
2020-10-02 15:09:47 -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
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
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
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
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
932f052cbf
more header cleanup
2019-06-27 20:52:23 -04:00
ac20d1ab41
fix corner-case issue with hyper communication, also timer
2019-03-18 09:52:16 -06:00
a3c936d283
bug fixes for new local hyperdynamics reduced comm
2019-03-14 15:13:02 -06:00
688945a0ef
silence compiler warnings about initialization order and unused args
2018-10-31 00:34:58 -04:00
3d0722b974
Merge branch 'master' of github.com:lammps/lammps into granular-kokkos
2018-10-10 10:43:54 -06:00
efd81a2854
Merge branch 'master' into bond/react-efficient-competing_reactions
2018-09-04 22:34:04 -06:00
a5f7b418de
bond/react: efficient competing reactions
2018-09-04 22:06:49 -06:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
0a5b027bac
Porting pair gran/hooke/history to Kokkos.
2018-07-03 11:10:27 -04:00
71e1867dd2
move enum{LAYOUT_UNIFORM,LAYOUT_NONUNIFORM,LAYOUT_TILED}; to Comm class
2018-05-10 00:50:20 -04:00
71fce2e413
move enum{SINGLE,MULTI} and enum{MULTIPLE} to Comm in comm.h
2018-05-09 23:57:24 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
ca032f21fb
Add Kokkos threaded reverse comm option
2017-10-03 10:14:24 -06:00
01e848387a
avoid accessing uninitialized data when exiting LAMMPS early
2017-07-12 18:00:38 -04:00
5cd856c97f
fix spring doc page update
2017-01-17 09:02:56 -07:00
b221b15d24
NULLing ptrs in comm_brick and dump*.cpp
2016-11-07 15:50:18 +01:00
558303072d
sync with GH
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15597 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-20 14:52:43 +00:00
b23e9f0d54
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-09-14 19:29:22 +00:00
951e7c916a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 17:39:55 +00:00
e088eaa53b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15186 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 16:45:57 +00:00
23ab6d4c0c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14695 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-03-01 16:55:50 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
4bd3fe89c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13971 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-29 22:03:12 +00:00
aeb7fec23a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-12-02 02:15:39 +00:00
f14e5cdce6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12714 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-18 00:15:46 +00:00
b7e6d76f38
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-08 20:36:32 +00:00
c1e12f9508
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-08 17:55:44 +00:00
