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
3cdf0e286e
add comments to explain why 1 item is added to rendezvous buffers.
2020-06-19 12:32:11 -04:00
0249cf7510
better and more general version of the previous commit
2020-06-19 01:10:45 -04:00
a4de04d823
make certain that allocated buffers in Comm::rendezvous_all2all() are not NULL
2020-06-19 00:44:09 -04:00
9ca0d01a5b
silence compiler warnings
2020-06-11 19:05:06 -04:00
5c1236084c
correctly compute the size of the maxexchange buffer. we put all fixes into one buffer.
2020-06-07 14:37:20 -04:00
f547d66104
Merge branch 'master' into more-fmtlib-and-string
...
# Conflicts:
# src/write_restart.cpp
2020-06-05 11:13:44 -04:00
923e740872
get rid of more BIGINT_FORMAT macros
2020-06-04 22:07:47 -04:00
75e4cff44a
simplify communication cutoff warnings
2020-06-04 11:13:21 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
946bd8f3c0
print warning about adjusting the communication cutoff only during integrator or minimizer setup phase
2020-01-20 16:23:26 -05:00
3cb26e576d
make sure communication buffers are fully initialized
2020-01-15 13:47:01 -05:00
b6b022b610
whitespace cleanup: remove trailing blanks
2019-11-03 11:03:39 -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
fe83e4de2e
revise logic and documentation of communication cutoff selection one more time
2019-07-25 16:00:01 -04:00
4586fd50af
adjust logic for choosing the communication cutoff to requests from @sjplimp
...
limit cases where warning about adjusting the comm cutoff is printed.
2019-07-25 08:33:21 -04:00
d08477cc5f
print warning, when explicitly specified communication cutoff is increased
2019-07-24 17:49:00 -04:00
