382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -05:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
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
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
...
Conflicts resolved:
src/comm_tiled.cpp
2019-11-27 12:12:03 -05:00
11a3fd6ce4
Merge pull request #1556 from lammps/bug-maxexchange
...
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
...
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
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
378474c4e6
more include file cleanup suggested by IWYU
2019-06-28 02:07:18 -04:00
4ec3a508fc
bulk removal of #include <cstdio> from header files
2019-06-27 21:54:07 -04:00
a76ba95f5b
comm_tiled_sendself_fix
2019-04-11 12:51:46 -06:00
6b09f6d490
bug fix for tiled communication at cutoffs near box size
2019-03-27 15:51:10 -06:00
9a3f90294c
updated comm tiled to have multi
2019-01-21 11:50:10 -05:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
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
c041727e4f
remove dead code and reduce trivial compiler warnings (clang++)
2017-03-27 14:28:50 -04:00
b9d0f96a19
change purge target in Makefile, also fixed one issue with Make.py
2016-09-30 09:17:55 -06:00
558303072d
sync with GH
...
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
04e401ae4b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-05-31 16:20:32 +00:00
