Commit Graph

14608 Commits

Author SHA1 Message Date
d11733d3a0 typo in equation 2017-09-28 18:28:46 +02:00
348c4eb7f3 add .cpp and .h to root src 2017-09-28 18:18:28 +02:00
75b3f34a58 Update documentation 2017-09-28 18:16:06 +02:00
fe80c57bde more documentation 2017-09-28 17:01:12 +02:00
e49f0e396b Create fix_rhok.txt 2017-09-28 16:24:26 +02:00
37e55a825b Create fix_rhok.txt 2017-09-28 16:20:03 +02:00
67e48264d9 Update fix_rhok.cpp 2017-09-28 16:02:20 +02:00
4e1eeca869 Update fix_rhok.cpp 2017-09-28 16:02:00 +02:00
2fda041972 Update fix_rhok.cpp 2017-09-28 16:00:16 +02:00
34c1adb4dd Merge https://github.com/lammps/lammps 2017-09-28 12:28:58 +02:00
23e283f135 Fixed proper deletion of fixes if fix is NULL 2017-09-27 16:20:07 +02:00
de45fa6e71 correct bogus links in LATTE docs 2017-09-26 18:25:37 -04:00
bfdc4acb8b add missing entry for pdf version of manual 2017-09-26 16:53:36 -04:00
fd3ecd0481 fix typo in formatting 2017-09-26 16:52:24 -04:00
8bba6d3e8c correct formatting and broken/colliding link issues with LATTE package related documentation 2017-09-26 16:52:10 -04:00
53e4ee4f2d need to re-init timers after initial setup 2017-09-25 23:20:42 -04:00
b60cff7e77 USER-OMP package depends on USER-DRUDE 2017-09-25 23:15:49 -04:00
38530415c8 -ltbbmalloc is required 2017-09-25 20:03:53 -04:00
0573aaa6da update src/.gitignore for LATTE package 2017-09-25 19:37:55 -04:00
e6969002ce having plain filelink instead of filelink.o confuses KOKKOS linking with nvcc 2017-09-25 19:37:37 -04:00
0448bc9caf Merged stuff. 2017-09-25 18:31:32 -04:00
836a6d292c whitespace fixes, silence compiler warning about too few format specifiers 2017-09-25 16:31:39 -04:00
32e0de7a67 first pass at implementing atom2bin for KOKKOS neighbor lists 2017-09-25 14:06:20 -05:00
789812ec3d KOKKOS: minor typo fix 2017-09-25 14:06:20 -05:00
88a882b457 Added reference to fix rhok implimentation 2017-09-25 18:59:23 +02:00
f1aea57e30 Update readme.md 2017-09-25 18:48:21 +02:00
b35f2ff8b4 Example of Interface Pinning Computation 2017-09-25 18:44:24 +02:00
4beccf508f Move fix to USER-MISH 2017-09-25 18:35:53 +02:00
78a486c0fd Authorize hybrid/overlay for fix srp 2017-09-25 16:18:08 +02:00
f2c1172741 patch 22Sep17 patch_22Sep2017 2017-09-22 15:46:34 -06:00
d6316c40d9 cmake: fix build with system latte 2017-09-22 15:36:14 -06:00
bcde318ccb Merge pull request #659 from stanmoore1/kk_border_comm
Enhance Kokkos communication logic
2017-09-22 13:47:44 -06:00
3ed39ca844 Make Kokkos comm give warning and switch to classic comm instead of erroring out 2017-09-22 13:03:24 -06:00
ee487ef4aa Merge pull request #652 from junghans/latte
Add LATTE fix
2017-09-22 10:32:19 -06:00
a8ae886667 update fix latte examples and virial 2017-09-21 10:40:54 -06:00
fe8244c1c2 Rename fix 2017-09-21 16:49:46 +02:00
3381a43378 Added readme.m 2017-09-21 16:20:06 +02:00
73708b091c Added readme file, and removed old files 2017-09-21 16:17:26 +02:00
9a9af2ca5e Delete README 2017-09-21 13:58:51 +02:00
491d5f3410 Added USER-PINNING package 2017-09-21 11:38:59 +02:00
5e35ab251b fixed sucrose 2017-09-20 17:11:49 -06:00
d708e34ba6 cmake: download/build latte if not found 2017-09-20 12:01:26 -06:00
638b91bf74 Merge pull request #657 from lammps/snap-potentials
new SNAP potentials and examples
2017-09-20 09:34:51 -06:00
ad25a95297 whitespace cleanup 2017-09-20 11:13:13 -04:00
e7d042ba1a convert DOS/Windows CR-LF line endings to native format 2017-09-20 11:12:58 -04:00
dd49d54889 new SNAP potentials and examples 2017-09-20 08:54:30 -06:00
fbaa7ab8fa Merge pull request #655 from akohlmey/fixes-for-patch
collected small bugfixes for the next patch release
2017-09-20 08:51:47 -06:00
2e9803efb3 Merge pull request #645 from akohlmey/kokkos-makefile-updates
Some small kokkos makefile updates
2017-09-20 08:40:20 -06:00
59d2e13d48 add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other libraries 2017-09-19 19:06:02 -04:00
76d93f21dd add fix latte command to doc pages 2017-09-19 16:55:08 -06:00