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12046 Commits

Author SHA1 Message Date
Axel Kohlmeyer 23925b3a57 update fix wall/ees and wall/region/ees file to conform more to common formatting 
also fix some typos and formatting issues
 2017-07-06 14:47:44 -04:00
Axel Kohlmeyer 423e3b6389 integrate fix wall/ees and wall/region/ees into doc system 2017-07-06 14:45:51 -04:00
Abdoreza Ershadinia 8be6d5bfd8 Merged two doc files 2017-07-06 20:21:55 +09:00
Abdoreza Ershadinia a62eb43791 Delete "fix_wall_region_ees.txt" 2017-07-06 20:20:12 +09:00
Abdoreza Ershadinia 33be51af54 Deleted "fix wall/region/ees" doc file 2017-07-06 20:19:40 +09:00
Abdo 47649ff50f some edits to make examples more illustrative. 2017-07-06 15:35:06 +09:00
Axel Kohlmeyer d451dbb1a0 adjust EES wall input example to print out some thermodynamic info that can be used for testing 2017-07-05 13:54:56 -04:00
Axel Kohlmeyer 6eddc1a2ee coding style and whitespace cleanup to match LAMMPS style 2017-07-05 12:33:41 -04:00
Abdoreza Ershadinia 9fa4588eb7 fixed a typo 2017-07-05 23:46:48 +09:00
Abdo f5440a777b Merge branch 'master' of https://github.com/aershadinia/lammps 
hello
 2017-07-05 23:25:03 +09:00
Abdo 92831f185b Merge branch 'master' of https://github.com/aershadinia/lammps 2017-07-05 23:23:09 +09:00
Abdo 8e279d4ec8 Examples moved 2017-07-05 23:16:42 +09:00
Abdoreza Ershadinia cbd8f99754 Restrictions Added 2017-07-05 23:15:27 +09:00
Abdoreza Ershadinia b720f39163 Restrictions Added 2017-07-05 23:15:23 +09:00
Abdoreza Ershadinia e0521f27b4 Added reference to example directory. 2017-07-05 15:08:07 +09:00
Abdoreza Ershadinia 5eb5391b20 Add reference to example 2017-07-05 15:06:34 +09:00
Abdo d3b8e688c9 Files Added to MISC 2017-07-05 14:57:43 +09:00
Abdo 67d474df2a deleteing USER-EES 2017-07-05 14:39:37 +09:00
Abdoreza Ershadinia 8f37285b05 UPLOAD examples 2017-03-16 21:12:10 +09:00
Abdoreza Ershadinia ef72145540 Readme for examples 2017-03-16 21:10:41 +09:00
Abdoreza Ershadinia d17d99b9dd UPLOAD Formulas for EES 2017-03-13 22:54:09 +09:00
Abdoreza Ershadinia 68b2a454b5 UPLOAD fix_wall_ees_image 2017-03-13 22:53:10 +09:00
Abdoreza Ershadinia 23c3f5622a DOC files for USER-EES 
txt doc files for fix_wall_ees and fix_wall_region_ees added.
 2017-03-13 22:51:15 +09:00
Abdoreza Ershadinia 6311d33a5d UPLOAD source files 
source files and install.sh added
 2017-03-13 22:49:04 +09:00
Abdoreza Ershadinia e136a9db02 Create README 2017-03-13 22:48:12 +09:00
Steve Plimpton f871ecdc67 change to RCB cuts in load-balancing commands, also a new option for fix halt 2017-03-10 15:55:07 -07:00
sjplimp 470353e320 Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 
Colvars update 2017-03-10
 2017-03-10 14:51:16 -07:00
sjplimp ffe02d20ca Merge pull request #406 from stanmoore1/kokkos_bugfix 
Fix Kokkos issues
 2017-03-10 14:51:04 -07:00
Giacomo Fiorin f70752c18f Include PDF of Colvars doc missing in previous commit 2017-03-10 15:58:35 -05:00
sjplimp 07fcfd6d54 Merge pull request #405 from stanmoore1/ev_setup_kk 
Add alloc flag to ev_setup
 2017-03-10 11:01:51 -07:00
sjplimp c97feafca6 Merge pull request #407 from frobnitzem/master 
Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp
 2017-03-10 11:00:30 -07:00
sjplimp b20d95d495 Merge pull request #402 from timattox/USER-DPD_spelling 
Fix spelling "correction" from 3a054d1a: iterations not interactions and imd_writen not imd_written
 2017-03-10 10:59:43 -07:00
Giacomo Fiorin 0b4adaa9e6 Backport typo fixes that were not previously pushed to the Colvars repository 2017-03-10 09:24:46 -05:00
Giacomo Fiorin 5fe6206638 Update Colvars module to version 2017-03-10 2017-03-10 09:16:58 -05:00
David M. Rogers 65964f3b31 Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp 2017-03-09 16:49:07 -05:00
Stan Moore b28b84d444 Fix half from full nlist issue with Kokkos 2017-03-09 14:00:27 -07:00
Stan Moore a001a5ceb0 Fixing memory overflow issue in comm_kokkos 2017-03-09 12:20:49 -07:00
Axel Kohlmeyer 2ef713ea1b restore incorrect change due to spell checking in fix imd 2017-03-08 16:40:16 -05:00
Stan Moore 1f6c1942b3 Disable allocation of per-atom arrays in ev_setup for Kokkos styles 2017-03-08 12:42:44 -07:00
Stan Moore 683023d820 Adding alloc flag to ev_setup 2017-03-08 12:36:23 -07:00
Tim Mattox 42d3a8f498 Fix spelling "correction" from 3a054d1a: iterations not interactions. :-) 2017-03-07 15:41:06 -05:00
Steve Plimpton 79b005dc3d patch 7Mar17 2017-03-07 11:40:07 -07:00
sjplimp a2fa6ef452 Merge pull request #393 from akohlmey/small-bugfixes 
Small bugfixes
 2017-03-07 09:56:03 -07:00
sjplimp 920641bbff Merge pull request #399 from rbberger/docs_spelling_fixes 
Correct spelling errors in documentation
 2017-03-07 09:47:22 -07:00
sjplimp c2aabdec22 Merge pull request #398 from stanmoore1/kokkos_changes 
Kokkos changes
 2017-03-07 09:46:54 -07:00
sjplimp e4aa735a68 Merge pull request #395 from timattox/USER-DPD_bugfix 
USER-DPD: a variety of small but important bugfixes
 2017-03-07 09:46:40 -07:00
sjplimp 4af6557568 Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Added Kolmogorov-Crespi potential
 2017-03-07 09:46:08 -07:00
sjplimp 0798885bdb Merge pull request #389 from akohlmey/update-agni-potential 
update AGNI potential for Al, reference runs and output and citation
 2017-03-07 09:35:31 -07:00
sjplimp 020e75e7ef Merge pull request #386 from akohlmey/doc-consistentcy 
improve consistency of manual
 2017-03-07 09:33:14 -07:00
sjplimp d6866f1cfd Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes 
Fixes for PairAIREBO::bondorderLJ
 2017-03-07 09:32:30 -07:00