Commit Graph

26401 Commits

Author SHA1 Message Date
cf18ec6cc6 Add selection of Manual version 2021-05-14 11:10:15 -04:00
e5cc4409a5 Merge pull request #2760 from jrgissing/bond/react-custom_constraint
Bond/react: custom constraint
2021-05-13 20:04:48 -04:00
058d56cf5c Merge pull request #2733 from stanmoore1/kk_update_3.4.0
Update Kokkos library in LAMMPS to v3.4.0
2021-05-12 17:00:44 -04:00
e960674cea Merge pull request #2536 from jtclemm/multi_epcc
Add faster method for multi neighboring
2021-05-12 15:25:28 -04:00
a8f469b105 refactor strtok 2021-05-12 15:05:46 -04:00
e715688d03 dead code removal 2021-05-12 14:22:48 -04:00
1f2b709b83 strdup update 2021-05-12 14:17:42 -04:00
0ee7bc6e01 Update remaining variable names after refactor 2021-05-12 13:57:51 -04:00
8617770592 Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
2021-05-12 13:51:42 -04:00
4ccb17ab62 whitespace 2021-05-12 13:49:41 -04:00
fdfbb0f425 Merge pull request #2706 from gugmelik/smooth-gpu
GPU version of pair_style lj/smooth
2021-05-12 12:02:08 -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
dfb15e76c3 Merge branch 'master' of https://github.com/lammps/lammps into kk_update_3.4.0 2021-05-12 08:14:03 -06:00
6b45f9052f small fixed and error checking 2021-05-12 08:55:00 -04:00
1d10147cb6 reformat and shorten new example inputs 2021-05-12 07:53:18 -04:00
b49d91fa8e add contributing author and citation DOIs 2021-05-12 07:00:47 -04:00
986a72ff6e remove executable permissions on non-executable files 2021-05-12 06:32:58 -04:00
9ef0395313 whitespace fixes 2021-05-12 06:30:52 -04:00
24075b3281 remove unused variable declarations 2021-05-12 06:24:19 -04:00
f0e52981f2 Merge branch 'master' into multi_epcc 2021-05-12 06:16:52 -04:00
8dad40ea49 apply clang-format 2021-05-12 00:17:12 -04:00
d5c7ef113d whitespace fix 2021-05-12 00:10:06 -04:00
71da854c38 small doc updates 2021-05-12 00:07:32 -04:00
5591b0f33d Merge branch 'master' into smooth-gpu 2021-05-11 23:59:14 -04:00
e874446b7c fix whitespace in doc files 2021-05-11 21:20:29 -04:00
57a2f21757 add/update USER-BROWNIAN example inputs and logs 2021-05-11 21:13:10 -04:00
8a507cc7da reformat with clang-format and related changes 2021-05-11 19:32:57 -04:00
ee546e2fa3 Merge pull request #2758 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
2021-05-11 19:31:12 -04:00
0d4cca5af9 fix compilation issues 2021-05-11 18:32:18 -04:00
ed75618ad6 integrate USER-BROWNIAN package into the documentation proper 2021-05-11 18:31:59 -04:00
632e0d6a52 add USER-BROWNIAN package to various package management files 2021-05-11 17:59:02 -04:00
5cc3f88fcf changed author 2021-05-12 00:57:41 +03:00
92c5951d6c Update to latest changes from upstream 2021-05-11 17:49:03 -04:00
442a829b1e changed author 2021-05-12 00:40:38 +03:00
5865ced9c7 minor change 2021-05-12 00:25:51 +03:00
01ca668c98 permissions, again 2021-05-11 17:22:41 -04:00
d3186b74f7 updated 2021-05-12 00:14:27 +03:00
8beb251dcc Merge branch 'bond/react-custom_constraint' of https://github.com/jrgissing/lammps into bond/react-custom_constraint 2021-05-11 15:59:02 -04:00
b36ee935f7 update citations 2021-05-11 15:59:00 -04:00
8f917b509b add test for querying the operating system info 2021-05-11 15:24:04 -04:00
5b8763c471 Merge branch 'lammps:master' into smooth-gpu 2021-05-11 22:22:33 +03:00
fbe9240cf3 add python unit test for GPU capabilities 2021-05-11 15:17:43 -04:00
94a646cd01 new accelerator variant: GPU 2021-05-11 22:17:29 +03:00
c2ddce4c26 new accelerator variant: GPU 2021-05-11 22:13:37 +03:00
228711f59b add GPU device query functions to library interface and its wrappers 2021-05-11 14:59:49 -04:00
4213ebd2ff Merge branch 'lammps:master' into bond/react-custom_constraint 2021-05-11 12:54:46 -06:00
ead311adf8 replace variable length array on stack with std::unique_ptr()
this closes #2757
2021-05-11 13:42:47 -04:00
af6eae29d4 reformat else statements 2021-05-11 13:42:34 -04:00
883d55f416 skip running GPU test if there is no viable GPU device 2021-05-11 13:42:25 -04:00