Commit Graph

665 Commits

Author SHA1 Message Date
c0f0edfaba tweak sphinx config that PDF and HTML manual have the same chapter numbers 2023-03-25 06:04:06 -04:00
ed8b06a756 Merge pull request #3628 from lammps/fix-mdi-qmmm
Add a fix mdi/qmmm command for running QMMM via MDI code coupling
2023-03-23 12:33:00 -04:00
4a7ab34568 lift restriction to Sphinx version < 6.0, enable jquery extension 2023-03-16 23:07:18 -04:00
b41d826e0a Merge branch 'develop' into gran-temp 2023-03-16 17:44:36 -04:00
3ba37fc954 Merge branch 'develop' into bond-harmonic-restrain 2023-03-13 19:43:16 -04:00
c34f398b5c spelling and formatting fixes and improved consistency. fix broken/missing links. 2023-03-12 16:48:21 -04:00
6640e8b647 address some spelling and grammar issues flagged by languagetool.org 2023-03-04 00:43:43 -05:00
c9e300f76f implementation of bond style harmonic/restrain /w docs 2023-03-03 16:54:47 -05:00
da79aadc8d spelling 2023-03-02 07:31:38 -05:00
87a9695c64 Merge remote-tracking branch 'github/develop' into collected-small-changes 2023-03-01 20:37:50 -05:00
a98c497dbb redesign the Howto pages on water models and add inputs and molecule files 2023-02-28 18:10:45 -05:00
ec87c71064 add documentation for fix wall/lepton, fix wall/table and WallTabulate() 2023-02-23 00:35:25 -05:00
0ae72ce36d update for recent doc updates 2023-02-08 16:44:32 -05:00
b6a9e47494 update false positives 2023-01-26 16:22:40 -05:00
39f776ae86 some more languagtool.org suggested updates 2023-01-23 05:15:34 -05:00
c06470ca33 more revisions based on suggestions from languagetool.org 2023-01-22 16:53:39 -05:00
f65f79ef82 revise based on suggestions from languagetool.org 2023-01-22 09:50:27 -05:00
57349b042e one more pass at revising the introductory pages of the LAMMPS manual 2023-01-21 16:23:23 -05:00
af8c091ed5 add image to the cover page of the PDF version of the manual 2023-01-21 15:58:10 -05:00
c3b1c661a8 small tweaks to the "breadcrumbs" part of the theme to avoid double inserting a separation character 2023-01-21 04:18:24 -05:00
3f34f54847 add page about portability 2023-01-20 23:40:41 -05:00
03b532db4a add false positive 2023-01-20 22:53:29 -05:00
a6667f1b2c Minor tweaks to potentials 2023-01-20 18:45:19 -07:00
cf033780cc add false positive 2023-01-20 19:15:20 -05:00
8800adf1cd fully integrate ABC-FIRE and make it a min_modify option 2023-01-10 16:20:00 -05:00
f175a15627 Merge branch 'develop' into gran-temp 2023-01-10 09:58:50 -07:00
6a8df032b6 Merge pull request #3582 from athomps/sllod_variants
Implement sllod variants
2023-01-06 21:55:10 -05:00
fbbe66c8bd Merge branch 'develop' into lepton-package 2023-01-06 17:53:23 -05:00
3f496905d6 Merge branch 'develop' into lepton-package 2023-01-06 00:44:28 -05:00
69169031ba spelling 2023-01-06 00:00:24 -05:00
01d9033e2d Merge branch 'develop' into collected-small-changes 2023-01-05 23:36:45 -05:00
67c50e4d4f call macOS consistently macOS 2023-01-05 08:33:08 -05:00
7c66aeddf7 update and correct sllod thermostat docs 2022-12-31 22:24:17 -05:00
09d743b8f1 update lammps theme base theme from read-the-docs version 1.0.0 to 1.1.1 2022-12-30 09:47:50 -05:00
be8d15a728 change the generated cannonical URL to always point to the current version docs 2022-12-30 09:46:10 -05:00
52fcd08e1c reformat colvars related docs. add false positive for spellchecker 2022-12-27 21:15:33 -05:00
4ac830bf73 add dihedral_write command 2022-12-25 07:01:37 -05:00
da98363a25 implement angle_write command 2022-12-24 22:52:16 -05:00
d9b1e318e8 add documentation for LEPTON package and lepton pair and bond style 2022-12-22 15:48:24 -05:00
281e67d6fb Merge branch 'develop' into distributed-grids 2022-12-14 18:12:10 -05:00
d8b404cc42 update docs, fix references, correct spelling issues 2022-12-14 10:22:47 -05:00
fe7b489149 Merge pull request #3550 from akohlmey/collected-small-changes
Collected small changes and fixes
2022-12-13 18:26:28 -05:00
8248b5bc18 Merge branch 'develop' of github.com:lammps/lammps into distributed-grids 2022-12-13 13:00:31 -07:00
2421f9098c Merge pull request #3517 from akohlmey/document-style-flags
Provide more and updated details about implementing new styles in LAMMPS
2022-12-10 09:59:01 -05:00
34449fc47c fix typo and reformat 2022-12-07 20:41:33 -05:00
08129bfc00 Merge branch 'develop' into collected-small-changes 2022-12-05 12:40:28 -05:00
31ca8fbbed Merge pull request #3449 from cesmix-mit/pod
ML potentials with proper orthogonal descriptors
2022-12-05 12:29:13 -05:00
be17106ecf Merge branch 'develop' into collected-small-changes 2022-12-05 07:02:13 -05:00
d4289a2774 update list of commands in pygments LAMMPS lexer 2022-12-04 16:59:35 -05:00
a96d4101ea small doc updates, add version tags, rewrap paragraphs 2022-12-04 16:07:32 -05:00