Commit Graph

22697 Commits

Author SHA1 Message Date
3370d2f8de Add .gitattributes
This will help to strip out some developer-only files from the
GitHub generated tarballs.
2020-07-30 10:51:21 -06:00
45af603c04 Make patch informational too 2020-07-30 12:26:55 -04:00
09e0ad19f5 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-07-30 12:21:46 -04:00
763fa426cf Enable patch status 2020-07-30 12:21:40 -04:00
6812649a65 Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes 2020-07-30 12:08:43 -04:00
1ae785132c Add codecov.yml 2020-07-30 12:08:15 -04:00
f0e6651780 Merge branch 'first-test' of github.com:abhiShandy/lammps into collected-small-changes 2020-07-30 11:46:06 -04:00
facb2f3c27 fix error in determining A/B parameters. outputs now match lj/mdf as expected. 2020-07-30 11:44:37 -04:00
4a28a708b9 T_initial_set array is only required during reading of the mesh 2020-07-30 10:36:03 -04:00
36f4e6789a simple test for pair-born 2020-07-30 03:30:57 -04:00
6a90a2affe consistently check for presence of all input mesh data 2020-07-29 23:43:45 -04:00
7d46aa6185 Merge pull request #2256 from akohlmey/cmake-use-alternate-linker
Use alternate/faster linker if available
2020-07-29 21:40:17 -04:00
2c3f9b111a whitespace cleanup: replace tabs and remove trailing blanks 2020-07-29 21:36:24 -04:00
8c30b320fd Merge branch 'master' into collected-small-changes 2020-07-29 21:32:16 -04:00
c355348ff9 remove local copy of "me" 2020-07-29 21:31:51 -04:00
df3d04662d Merge pull request #2259 from lammps/rcb-tiled-tri
enable comm_style tiled and load-balancing to work for triclinic boxes
2020-07-29 21:23:20 -04:00
dd001e80d2 Merge branch 'master' into rcb-tiled-tri 2020-07-29 20:37:28 -04:00
b00bfc82c8 Merge pull request #1426 from Adrian-Diaz/comm_tiled_sendself_fix
Add bugfix for comm_tiled_sendself
2020-07-29 20:35:33 -04:00
b402b00882 Merge branch 'master' into comm_tiled_sendself_fix 2020-07-29 18:23:51 -04:00
2fa642d95e document custom linker choice 2020-07-29 18:01:17 -04:00
d0b6ce8284 displace target link options (if supported by CMake version) 2020-07-29 17:46:24 -04:00
1f1767f5af convert linker choice to (advanced) choice. only for Clang and GNU at the moment 2020-07-29 17:36:34 -04:00
2923dcbbd6 Merge pull request #2258 from akohlmey/phana-update
Update phana tool for USER-PHONON from GitHub repo
2020-07-29 16:52:47 -04:00
8c849c0104 add test file for pair style lennard/mdf 2020-07-29 16:41:11 -04:00
6707e64d14 change class name and add write_data support with pair style lennard/mdf 2020-07-29 16:39:44 -04:00
d3b5e50da3 fix bugs in lennard/mdf pair style 2020-07-29 16:39:07 -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
4d9781f9b6 fix typo an reorder 2020-07-29 11:10:14 -04:00
7df8a63045 update phana tool for USER-PHONON from github 2020-07-29 10:48:04 -04:00
1677b76b6c try using faster alternatives to GNU ld when building (many) test executables 2020-07-28 20:56:32 -04:00
cc0cf3b94f consolidate USER-REAXC init error message handling. avoid snprintf and buffer 2020-07-28 20:40:57 -04:00
29c50671da Merge pull request #2254 from Vsevak/fix_opencl
Fix corrupted character in GPU package
2020-07-27 20:08:18 -04:00
ae329acd3b Merge pull request #2255 from akohlmey/charset-cleanup
Charset cleanup in (most) source files
2020-07-27 19:41:36 -04:00
9db34bc18e cosmetic changes to CommTiled for comm multi style 2020-07-27 16:15:41 -06:00
477b97f257 remove some more extended ASCII characters 2020-07-27 17:33:35 -04:00
2bb5c53a47 remove/replace extended ASCII characters from comments 2020-07-27 17:15:29 -04:00
634f274a04 whitespace cleanup: replace tabs and remove trailing whitespace 2020-07-27 17:14:53 -04:00
41535d8de3 Merge pull request #2253 from stanmoore1/kk_snap_bug
Fix issue in pair_snap_kokkos
2020-07-27 14:09:43 -04:00
93f14e9bba Fix broken ASCII symbol in GPU package 2020-07-27 20:16:55 +03:00
6dc52dff73 Fix bug in pair_snap_kokkos 2020-07-27 10:30:04 -06:00
884355b335 Merge pull request #2252 from akohlmey/collected-small-changes
Collected small changes and bugfixes
2020-07-27 12:01:18 -04:00
780fb5b376 add test function to validate updated topology data after reset_atom_ids 2020-07-27 10:43:37 -04:00
1fb1a5f461 fix incorrect ubuf decoding bug in reset_atom_ids 2020-07-27 09:48:13 -04:00
94c9cdbc05 print messages about reading potential files only on MPI rank 0 2020-07-27 06:19:35 -04:00
5452f72bd9 convert fix ttm and fix ttm/mod to use tokenizer class for parsing files 2020-07-25 18:03:18 -04:00
79984e31db small i/o tweaks 2020-07-24 14:10:30 -04:00
783b28906e Merge pull request #2250 from rbberger/doc-remove-small-images
Remove unnecessary thumbnails
2020-07-23 11:50:07 -04:00
5528d4d18c trim excessive white from images 2020-07-23 00:36:15 -04:00
f60c13c845 fix incorrect link 2020-07-23 00:36:02 -04:00