Commit Graph

6485 Commits

Author SHA1 Message Date
c04a71a239 add unit test framework for pair, bond, angle styles from progguide branch 2020-05-19 22:24:31 -04:00
a6cfe8f642 update Kokkos related documentation about JIT compilation and UVM. 2020-05-11 18:07:51 -04:00
8301c7a9c6 Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom 2020-05-06 15:53:21 -06:00
260e6bafd5 Merge pull request #2064 from akohlmey/next_lammps_version
Update version strings for the next patch release
2020-05-04 19:43:12 -04:00
1329603184 Merge pull request #2019 from z-gong/viscosity
Fix and compute styles for calculating viscosity with periodic perturbation method
2020-05-04 17:42:31 -04:00
6d0ef85671 Merge pull request #2055 from akohlmey/reaxc-runtime-adjust
Make MIN_HBONDS define for reax/c configurable via an input option
2020-05-04 10:28:13 -04:00
48262fd0a9 Merge pull request #2051 from akohlmey/collected-small-changes
Collected small changes for the next patch release
2020-05-04 10:06:45 -04:00
bed6ad4660 manually incorporate fixes for ave/correlate/long from PR #2066 2020-05-04 08:18:56 -04:00
7295e93e9b step version strings for the next patch release 2020-05-03 07:28:38 -04:00
4bf9c47317 support diskfree option to "fix halt" also on BSD variants 2020-05-03 02:34:40 -04:00
1418ec4ace make MIN_HBONDS define for reax/c configurable via an input option 2020-05-01 23:22:48 -04:00
3ccab20e9e add new false positives 2020-05-01 14:34:27 -04:00
5cb9d12538 whitespace cleanup 2020-05-01 14:34:20 -04:00
8e32f623f1 reformatted table for per-atom fields 2020-05-01 11:48:08 -06:00
807b0fce7e fix broken doc page links to new fix sph commands 2020-05-01 09:48:01 -06:00
0cf5636034 Add missing paramemter to compute_orientorder_atom docs 2020-05-01 08:01:29 -06:00
6817355a41 Update docs 2020-05-01 07:53:41 -06:00
25b6d98658 correct references and table format 2020-04-30 20:19:23 -04:00
8689b7a404 Merge branch 'master' into atomvec-custom 2020-04-30 20:09:23 -04:00
5e619b65f6 USER-SPH doc tweak 2020-04-30 17:08:05 -06:00
ec9b7c787d more doc changes for USER-SPH 2020-04-30 16:52:32 -06:00
4eb4839f6d renaming of variables and command names in USER-SPH 2020-04-30 16:40:09 -06:00
5ec357adfc spelling errors 2020-04-30 15:06:59 -06:00
ecd3652f61 update to current master 2020-04-30 11:57:17 -06:00
ae3c804cd2 Minor fix in doc 2020-04-30 19:00:37 +02:00
0b02108ba1 add add check to refuse running with 2d systems and document it. 2020-04-30 12:46:16 -04:00
859f644481 make spellchecker and sphinx happy 2020-04-30 12:45:36 -04:00
5062d57ccb Merge branch 'master' into viscosity 2020-04-30 12:32:06 -04:00
26321d49c4 Update How-to viscosity and put the example together with other viscosity examples. 2020-04-30 17:05:01 +02:00
18c63ade92 clarified AMD quote from review paper 2020-04-29 16:14:52 -06:00
754d9fabc6 Merge branch 'ubuntu-install-docs' of github.com:ellio167/lammps into ubuntu-install-docs 2020-04-28 17:27:49 -04:00
b3d8986603 list update kokkos flag 2020-04-28 17:27:23 -04:00
846146c9d4 correct minor formatting and markup issues 2020-04-28 17:23:16 -04:00
e9a777e63d Add explaination of potenentials directory behavior for lmp_daily 2020-04-28 16:16:28 -05:00
4bb5f99801 fix underline 2020-04-28 17:15:48 -04:00
681878aa24 Merge branch 'master' into viscosity 2020-04-28 17:11:04 -04:00
c6dc0cf8c5 flag commands and paths as literals. 2020-04-28 17:03:20 -04:00
3392dca7b8 fix typos in manual 2020-04-28 16:45:02 -04:00
87ca8a0627 Update ubuntu ppa install docs 2020-04-28 15:38:41 -05:00
8f9323a3d7 Merge pull request #2013 from wverestek/master
small modification to fix bond/react to allow equal style variables as probability input
2020-04-28 10:51:07 -04:00
b38e95f88c Merge pull request #1895 from stanmoore1/kk_compute_orientorder_atom
Add Kokkos version of compute orientorder/atom
2020-04-27 16:34:29 -04:00
b04cc115f3 document the image flag reset for switching boundaries 2020-04-27 10:51:53 -04:00
8fec14f593 Update fix_bond_react.rst 2020-04-26 13:08:40 -06:00
a614242595 allow variable-input for Nevery, Rmin, Rmax keywords 2020-04-25 21:45:43 -06:00
72ff0dd87d Merge pull request #2004 from stanmoore1/kk_3.1
Update Kokkos library in LAMMPS to v3.1
2020-04-24 18:35:53 -04:00
5cbebddae6 Merge pull request #2006 from ndtrung81/body-doc-fix
Fixed the doc page for fix wall/body/polyhedron
2020-04-24 18:01:50 -04:00
3f8efed1fd Merge pull request #2010 from akohlmey/collected-small-fixes
Collected bug fixes and small updates
2020-04-24 17:44:49 -04:00
9c081cf439 Update from master 2020-04-24 12:18:53 -06:00
9266c74370 move fix_accelerate_cos and compute_viscosity_cos to USER-MISC 2020-04-24 15:30:20 +02:00
a30d4a6c6f Add documents and minor fix for USER-VISCOSITY package 2020-04-24 14:41:03 +02:00