Commit Graph

477 Commits

Author SHA1 Message Date
0f5a1178fb we don't need txt2rst and txt2html anymore 2021-05-25 22:14:29 -04:00
d3bf00769c a couple more URL fixes 2021-05-25 22:14:00 -04:00
04defbf49c Merge remote-tracking branch 'github/master' into collected-small-changes 2021-05-25 18:57:34 -04:00
c10812644d correct citation 2021-05-25 17:17:16 -04:00
31a55f1f76 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-05-16 22:54:29 +02:00
7d40eb3cac fix issue with commands docs not being kept separate from programmer guide 2021-05-15 00:26:19 -04:00
492d82904f add false positives 2021-05-14 23:51:43 -04:00
59cc481108 change config entry for post 3.5 sphinx versions and enable permalinks 2021-05-14 23:51:33 -04:00
33205ed91f Use "mdi/engine" consistenty, complete integration in manual, spelling 2021-05-13 09:57:08 -04:00
ed75618ad6 integrate USER-BROWNIAN package into the documentation proper 2021-05-11 18:31:59 -04:00
9d40f85919 address spelling issues 2021-05-07 18:46:01 -04:00
6f5881e151 Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
2021-04-30 13:26:16 -04:00
8d8158396f Merge pull request #2721 from agiliopadua/examples
New examples for FEP calculation and references in doc pages
2021-04-30 12:55:57 -04:00
85ba1e9e3b Fix documentation build by adding explicit dependency to six 2021-04-30 12:27:21 -04:00
95285f9365 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-04-26 23:52:59 +02:00
b0cd6b3ef7 improve docs also for related functions 2021-04-24 22:08:28 -04:00
8e5e995188 add docs for new utility function 2021-04-24 21:32:29 -04:00
8fc9eb26bc address spell checker warnings 2021-04-23 15:08:20 -04:00
8ea5b8c41b add false positives for recently added docs 2021-04-23 11:22:50 -04:00
7e2d40c5fa Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
2021-04-21 16:00:01 -04:00
56be6d8ec2 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-04-20 23:20:14 +02:00
9bc353e5bd Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
2021-04-12 18:49:03 -04:00
e95cbf618b Merge branch 'master' into charge_regulation2 2021-04-12 09:55:15 -04:00
0496626533 Merge branch 'master' into feature/user-pace 2021-04-07 16:26:26 -04:00
feda2dc08d Updated doc page and spelling 2021-04-07 14:07:58 -06:00
17355f967a address spelling and manual processing issues 2021-04-03 11:11:18 -04:00
e613da98d6 Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
2021-04-02 15:08:44 -04:00
7b9dfb296d Renamed pair style, user package: nnp => hdnnp 2021-04-01 00:35:17 +02:00
6dfd475175 Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-03-31 23:24:11 +02:00
06ee5be2ce Fix unhandled cases in docs LAMMPS syntax highlighting 2021-03-19 18:51:21 -04:00
024a9600b1 update docs 2021-03-18 18:20:32 -04:00
18be1a2ea3 fix typo in false positives 2021-03-14 05:45:25 -04:00
19c042c8d2 add false positives 2021-03-11 21:19:49 -05:00
7ae2da0ace Merge pull request #2641 from pedroantoniosantosf/mliap_nn
Add support for neural network (nn) models to MLIAP package to compute energies and forces without going through Python
2021-03-08 20:27:01 -05:00
eee08204c3 Merge branch 'master' into mliap_nn 2021-03-05 22:14:57 -05:00
0b9675807b Fix typos 2021-03-04 17:48:44 -05:00
cf04303daf Final edits to doc page 2021-03-03 14:27:04 -07:00
e75f1f2f82 Merge branch 'master' into relres-update 2021-02-28 23:20:44 -05:00
cac03a85f3 add false positive 2021-02-28 23:19:45 -05:00
dfae88cf13 address spelling issues 2021-02-25 23:11:41 -05:00
992d0e13aa Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp 2021-02-24 23:37:21 +01:00
e713a931d3 Added lots of docs, finished CMake script 2021-02-24 17:57:24 +01:00
293ebad98f Merge branch 'master' into kim_commands 2021-02-23 09:34:32 -05:00
31a878bcd6 remove the old kim commands 2021-02-23 06:12:10 -06:00
53fdaa5741 Merge pull request #2603 from wmbrownIntel/gpu-updateFeb2021
GPU Package Update February 2021
2021-02-17 19:04:55 -05:00
f367e66aba documentation corrections, spelling fixes and updates 2021-02-17 18:47:35 -05:00
e7a37877c0 apply changes to doc Makefile to limit the impact of SNL network config changes 2021-02-16 11:40:25 -05:00
f705d49d45 reformat docs, correct spelling errors, and update false positives list 2021-02-11 09:17:14 -05:00
006de01c05 update false positives list for spell checking 2021-02-10 12:20:04 -05:00
418135667f address a whole bunch of spelling issues that suddenly popped up. 2021-02-09 12:38:46 -05:00