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3917 Commits

Author SHA1 Message Date
Richard Berger b6a70ec6fd fixup docs after last change 2017-05-12 00:34:47 -04:00
Richard Berger c4d0f07093 Allow fix python to only execute every N steps 2017-05-12 00:29:58 -04:00
Richard Berger 93f6033061 Add documentation about fix python 2017-05-11 23:50:40 -04:00
Axel Kohlmeyer 27a6371f9b implement a `python source` command as suggested in issue #454 2017-05-11 19:18:09 -04:00
sjplimp 998eb44e83 Merge pull request #473 from akohlmey/compress-for-reaxc-fixes 
compressed output via gzip for some ReaxFF fixes
 2017-05-11 09:25:18 -06:00
sjplimp 96d1de8575 Merge pull request #471 from akohlmey/fix-4may2017-issues 
Fix a bunch of remaining issues in the 4 may 2017 release
 2017-05-11 09:24:35 -06:00
sjplimp deff6ffaac Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent 
Meam spline multicomponent
 2017-05-11 09:22:25 -06:00
Axel Kohlmeyer abeb1e096a add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species 2017-05-10 11:19:18 -04:00
Axel Kohlmeyer 29ae8d4ca3 correct broken links and references in documentation 2017-05-09 17:15:07 -04:00
Steve Plimpton 08ec55743e neighbor list bugfix to prevent cycle in copy lists 2017-05-09 08:55:18 -06:00
Richard Berger f8af7edf92 Merge remote-tracking branch 'upstream/master' into python_refactoring 2017-05-06 16:00:22 -04:00
Steve Plimpton 51c6d50268 patch 4May17 2017-05-04 11:46:58 -06:00
sjplimp dcc5472cba Merge pull request #452 from akohlmey/small-fixes-and-updates 
Small fixes and updates
 2017-05-04 11:23:23 -06:00
Steve Plimpton addd87c0f7 new Section package and start doc pages and build scripts 2017-05-04 11:22:20 -06:00
Axel Kohlmeyer 7f49ee8fd7 print warning about minimization energy with fix box/relax 2017-05-03 15:33:22 -04:00
DallasTrinkle 8bddf105bf Updated version of equations, documentation. 2017-04-28 20:22:22 -05:00
DallasTrinkle 31446e35b9 Cleanup on equations; JPG to be constructed. 2017-04-28 15:31:49 -05:00
DallasTrinkle 9bdc43bb66 Updates to pair/meam/spline documentation. 2017-04-28 15:15:21 -05:00
DallasTrinkle a0b61d17b5 Updates to documentation: equation. 2017-04-28 15:08:59 -05:00
Axel Kohlmeyer af74874516 rename references to USER-CG-CMM to USER-CGSDK 2017-04-26 19:27:13 -04:00
Axel Kohlmeyer 8f9cb3590a correct units for some improper force constants in docs 2017-04-26 15:34:12 -04:00
Axel Kohlmeyer ddc1e4e86e detect and refuse to run pair style srp together with fix rigid 2017-04-25 13:27:20 -04:00
Axel Kohlmeyer 396e0b5423 correct broken link in html bond doc overview 2017-04-21 14:02:17 -04:00
Axel Kohlmeyer 4e411364ff add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay 2017-04-21 14:01:38 -04:00
Axel Kohlmeyer dfa9815246 update for fix gle docs from michele ceriotti 2017-04-18 17:07:28 -04:00
Axel Kohlmeyer 481927ff16 correct 'thrid' instead of 'third' 2017-04-17 17:49:49 -04:00
Axel Kohlmeyer dd90c860ee refactor msi2lmp documentation to emphasize lack of active development 
- put a note into the manual
- reorder contents of the README file
- request for information should be sent to lammps-users
- add list of known missing features
 2017-04-17 17:40:21 -04:00
Axel Kohlmeyer c9bc141335 remove doc text explaining restrictions that are lifted with the changes in this branch 2017-04-14 12:57:35 -04:00
Steve Plimpton 2f32fb7f8b patch 13Apr17 2017-04-13 11:19:48 -06:00
Steve Plimpton 4da8c1c4e2 patch 11Apr17 2017-04-11 09:00:37 -06:00
Steve Plimpton 49dd9449b8 fix gcmc updates from Aidan, trimming of output for replica commands 2017-04-11 08:35:09 -06:00
sjplimp 06cebb9fb4 Merge pull request #445 from Pakketeretet2/extract_for_bond 
Extract for bond
 2017-04-11 08:27:31 -06:00
sjplimp b9d844ca8d Merge pull request #444 from ohenrich/user-cgdna 
Minor updates to docu of USER-CGDNA package
 2017-04-11 08:25:09 -06:00
Axel Kohlmeyer 84ea8a79e6 correct link for dispersion parameter how-to and reformat 2017-04-10 20:43:24 -04:00
Oliver Henrich 497a5d88af Merge branch 'master' into user-cgdna 2017-04-04 20:03:57 +01:00
Oliver Henrich 8993daaa31 Minor update to docu 2017-04-04 19:54:22 +01:00
Stefan Paquay 28e86917a0 Made fix adapt work with bond_harmonic. 2017-04-04 12:35:26 -04:00
Steve Plimpton ae56b9ad89 patch 31Mar17 for stable release 2017-03-30 10:07:27 -06:00
Oliver Henrich c733204a70 Updated lammps.book and install script 2017-03-29 08:28:03 +01:00
Steve Plimpton 4b9d0a9566 sync with SVN 2017-03-28 13:26:12 -06:00
Steve Plimpton 0637f23875 patch 28Mar17 2017-03-28 13:12:23 -06:00
sjplimp 9f6e126a2f Merge pull request #437 from ohenrich/user-cgdna 
User cgdna
 2017-03-28 12:52:26 -06:00
sjplimp 80e5111dca Merge pull request #434 from akohlmey/imgflags-in-library 
improved image flag handling in library interface
 2017-03-28 12:50:13 -06:00
Axel Kohlmeyer 1d8f0c762d Merge branch 'master' into fixes-for-stable 2017-03-28 14:37:30 -04:00
Steve Plimpton 111d350a22 fix gcmc units change for chemical potential 2017-03-28 12:34:46 -06:00
Oliver Henrich 66a6375405 Resolved merge conflict 2017-03-28 18:58:31 +01:00
Oliver Henrich 604afebf6f Update to oxDNA2 2017-03-28 18:22:02 +01:00
Oliver Henrich 8afed61db1 Upgrade to oxDNA2 2017-03-28 18:16:36 +01:00
Axel Kohlmeyer f8da9a866a synchronize dump custom/vtk documentation with that of dump custom 2017-03-28 11:00:22 -04:00
Axel Kohlmeyer fc51c38abb add some docs for the special treatment of image flags 2017-03-28 02:22:45 -04:00