jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
11,679 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

3719 Commits

Author SHA1 Message Date
Efrem Braun aa146e9b38 Moved fix_nvk to USER-MISC, updated documentation to reflect move 2016-12-28 19:06:35 +01:00
Efrem Braun 68814d4fc8 Made documentation changes to fix nvk 2016-12-28 16:26:05 +01:00
Efrem Braun 616ca1de03 Fix nvk implemented. 2016-12-28 16:17:07 +01:00
Steve Plimpton 62dea1bb63 21Dec16 patch 2016-12-21 09:53:32 -07:00
Steve Plimpton 81a2db8a0c 17Dec16 patch 2016-12-16 11:36:54 -07:00
Steve Plimpton 3027ac9250 patch 16Dec16 2016-12-16 10:30:57 -07:00
Steve Plimpton e364b80724 added length keyword to python command 2016-12-16 10:24:25 -07:00
Steve Plimpton f509f133af patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates 2016-12-13 17:14:28 -07:00
sjplimp f3b355bcbe Merge pull request #298 from akohlmey/collected-small-fixes 
Collected small fixes
 2016-12-13 16:23:23 -07:00
Steve Plimpton ae5764beac added functionity to lib interface 2016-12-13 16:22:17 -07:00
Axel Kohlmeyer ddf678da51 make fix gcmc command overview consistent 
this closes #296
 2016-12-09 14:30:27 -05:00
Efrem Braun d3d5ac17bf Fixed small typos in doc 2016-12-07 19:37:51 -08:00
Steve Plimpton fb3f597f41 30Nov16 patch 2016-11-30 14:04:41 -07:00
sjplimp d14814ae2e Merge pull request #289 from akohlmey/collected-updates-and-bugfixes 
Collected updates and bugfixes
 2016-11-30 14:02:41 -07:00
Steve Plimpton beb5a30f67 new compute global/atom command, also bug fix for descending dump sorts 2016-11-30 14:01:27 -07:00
Axel Kohlmeyer 42d430168b fix typo in compute cluster/atom docs 
this closes #292
 2016-11-29 07:24:09 -05:00
Axel Kohlmeyer 02ae2d218a correct broken link to USER-SMD docs PDF 2016-11-28 11:34:22 -05:00
Axel Kohlmeyer 87781771ba fix typo and USER-OMP support omission 2016-11-23 09:02:32 -05:00
Steve Plimpton 59d100ab57 final prep for 22Nov patch 2016-11-22 09:23:02 -07:00
sjplimp b6f2f0e6e9 Merge pull request #287 from rbberger/pylammps/docs 
Created PyLammps documentation
 2016-11-22 08:50:29 -07:00
sjplimp ff0441ac16 Merge pull request #286 from akohlmey/small-fixes-and-updates 
Collected small fixes and updates
 2016-11-22 08:49:46 -07:00
sjplimp 41907d3110 Merge pull request #285 from akohlmey/fix-ipi-update 
update for fix ipi from michele ceriotti
 2016-11-22 08:48:27 -07:00
Steve Plimpton b95f255af4 small changes to temper/grem commands 2016-11-22 08:47:44 -07:00
Michele Ceriotti 87a5a35bad A tiny bugfix for the reset flag, and a brief explanation of the changes 2016-11-20 00:44:23 +01:00
Axel Kohlmeyer 230b29eae6 correct accelerator flags for dpd styles in pair style overview 2016-11-19 11:47:12 -05:00
Richard Berger 2383c31f15 Created PyLammps documentation 
Based on material presented during MD Workshop at Temple University in
August 2016.
 2016-11-18 23:58:57 -07:00
Axel Kohlmeyer d787afcca9 also remove generated html files with 'make clean' in docs folder 2016-11-18 15:37:49 -05:00
Axel Kohlmeyer 176cde8ed3 minor cleanups 2016-11-18 15:36:38 -05:00
Axel Kohlmeyer 2862c20815 Merge branch 'master' into grem-feature 2016-11-18 14:51:46 -05:00
Axel Kohlmeyer 78e018829f Merge branch 'grem-feature' of https://github.com/dstelter92/lammps into grem-feature 2016-11-18 14:48:47 -05:00
Steve Plimpton 4b51719e67 new 17Nov16 patch and stable 2016-11-17 16:51:35 -07:00
Steve Plimpton 25d7be5f3d compute pressure doc change 2016-11-17 16:11:30 -07:00
sjplimp 74c0e4dd5c Merge pull request #278 from akohlmey/pair-agni 
Implementation of the AGNI manybody potential
 2016-11-17 09:04:31 -07:00
sjplimp 073e8a0524 Merge pull request #276 from akohlmey/doc-updates 
Small bugfixes and updates
 2016-11-17 09:02:27 -07:00
sjplimp 2535e44991 Merge pull request #271 from akohlmey/tersoff-modc 
pair style tersoff/mod/c
 2016-11-17 09:00:52 -07:00
dstelter92 747c95c525 revised documentation, added temper_grem ref to fix_grem 2016-11-17 11:00:49 -05:00
Steve Plimpton 8756a1017d Kokkos updates by Stan 2016-11-17 08:58:22 -07:00
dstelter92 5c64934bc8 added documention, re-ran temper_grem example 2016-11-17 10:40:10 -05:00
Axel Kohlmeyer b45d1e37ef integrate fix grem docs and update to match current conventions 2016-11-16 16:46:00 -05:00
dstelter92 16c8a307e5 removed leftover tex files 2016-11-16 15:39:02 -05:00
dstelter92 94f14ab051 spell check, minor typos 2016-11-16 15:34:32 -05:00
dstelter92 4641c9e568 Added basic documentation for grem fix 2016-11-16 13:36:13 -05:00
Axel Kohlmeyer 57124b9b25 update documentation metadata files for recent changes 2016-11-12 09:18:21 -05:00
Axel Kohlmeyer 03b3834fe3 add documentation for pair style agni 2016-11-12 09:07:42 -05:00
Axel Kohlmeyer 1f38e1a771 Merge branch 'master' into doc-updates 2016-11-09 18:18:05 -05:00
Steve Plimpton 9806da69f3 Stan bug fixes for fix reaxc/bonds/kk 2016-11-09 15:47:50 -07:00
Axel Kohlmeyer c55fd502e0 correct typo in formula 2016-11-09 15:04:24 -05:00
Axel Kohlmeyer 71ee2ecaa1 integrate pair style tersoff/mod/c contributed by Ganga P Purja Pun (GMU) 
This includes docs, added testing and inclusion of USER-OMP support.
 2016-11-09 14:52:39 -05:00
sjplimp bfea3dce7d Merge pull request #268 from arielzn/born_dsf 
pair styles born/coul/dsf and born/coul/dsf/cs added
 2016-11-09 11:57:09 -07:00
Steve Plimpton 2c801320c2 fixed links in Section_intro.txt 2016-11-09 11:46:10 -07:00