Commit Graph

11462 Commits

Author SHA1 Message Date
56ac4aeedf Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-24 12:12:12 -04:00
73c049459b spelling 2024-10-23 21:10:34 -04:00
b682f52d11 fix typos 2024-10-23 21:07:39 -04:00
b810053d02 document restrictions for bonded interactions 2024-10-23 12:35:50 -04:00
1ec7ba547d Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-22 14:47:19 -04:00
ec5dfcd0fb remove note that was obsoleted 5 years ago 2024-10-22 09:50:30 -04:00
34ab2f862a small tweaks 2024-10-18 22:09:25 -04:00
f128abe002 improve OPLS description 2024-10-18 21:51:43 -04:00
2074b0c400 add check to allow only valid swaps between hybrid sub-styles and document it 2024-10-18 21:49:55 -04:00
86e18b8a24 fix copy-n-modify issue 2024-10-16 10:23:16 -04:00
2ce934fdb9 added section on OPLS-AA taken from https://matsci.org/t/issues-with-opls-force-field-for-ethylene-glycol-simulation/58296/11 2024-10-16 10:05:26 -04:00
9abfe38120 Merge branch 'develop' into collected-small-changes 2024-10-14 22:54:22 -04:00
59bbc5bcc1 Merge pull request #4356 from evoyiatzis/patch-1
add extract() function to few angle and bond styles
2024-10-14 19:25:29 -04:00
db3416c4b3 Apply corrections from code review by @simongravelle
Co-authored-by: Simon Gravelle <simon.gravelle@live.fr>
2024-10-14 08:19:53 -04:00
8156e56617 be more paranoid about Sphinx updates breaking extensions we use 2024-10-13 19:31:40 -04:00
c15c4d23bb fix spelling/syntax issues 2024-10-13 19:30:30 -04:00
b3b9d032fa cleanup, clarification and re-wrap of doc file sections 2024-10-13 18:56:41 -04:00
03d10e6bbc correct documentation to add "inputs local" to compute reduce commands on local data 2024-10-13 18:56:07 -04:00
f8a8783044 Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-12 20:09:59 -04:00
f1a79e7df5 Update fix_adapt.rst 2024-10-11 19:55:28 +02:00
df50691488 small correction and clarifications 2024-10-11 06:54:46 -04:00
6d30557ec2 Update partially fix_adapt.rst 2024-10-11 11:08:32 +02:00
5c82063376 Merge branch 'electrode' of github.com:robeme/lammps into collected-small-changes 2024-10-10 17:32:28 -04:00
9adf51f18e ignore python wheel build folder 2024-10-10 17:29:33 -04:00
7693e96828 change globbed toc script from bash to python 2024-10-10 17:24:23 -04:00
9835adcbfc allow use of Sphinx version 8.x as interface with breathe seems to have been updated 2024-10-10 13:36:53 -04:00
766ba94396 use script instead of globbing to avoid entering commands in multiple toctrees 2024-10-10 13:36:48 -04:00
505d519be2 Update affiliation for ELECTRODE in package details 2024-10-10 16:18:05 +02:00
7da8748e90 add region command to list of exceptions needing the accelerator include 2024-10-05 22:49:13 -04:00
bdf1a242da Merge branch 'develop' into alphataubio-kokkos-fixes 2024-10-05 22:34:01 -04:00
7aade6e14c Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes 2024-10-04 16:24:43 -06:00
aec43d0f00 Merge branch 'develop' into lubricate_patch 2024-10-04 17:09:27 -04:00
0a6d25881b update documentation according to accelerated style include check 2024-10-04 13:54:04 -04:00
25afdcc325 add check for missing or unneeded accelerated style include 2024-10-04 13:52:12 -04:00
485cddf303 Update fix_wall_region.rst 2024-10-04 13:06:32 -04:00
921d9df574 Update fix_recenter.rst 2024-10-04 13:05:48 -04:00
d27026c364 Update fix_nve_limit.rst 2024-10-04 13:05:26 -04:00
39def85b48 Update fix_cmap.rst 2024-10-04 13:04:52 -04:00
9108168ea3 doc 2024-10-04 11:35:46 -05:00
08266b65e4 doc 2024-10-04 15:45:16 +00:00
f7cf859670 doc 2024-10-04 15:32:47 +00:00
130548156d Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes 2024-10-04 09:30:33 -06:00
6d8529f1f7 Merge branch 'develop' into collected-small-changes 2024-10-04 01:24:30 -04:00
d1a1a57bd9 Merge pull request #4339 from jtclemm/small-patches
Fixing bugs in GRANULAR and mistakes in RHEO documentation
2024-10-03 22:01:21 -04:00
0f8b825424 fix up spelling issues in CTIP 2024-10-02 19:43:43 -04:00
8a7572fd5a Merge pull request #4181 from gplummer317/ctip
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix
2024-10-02 19:26:09 -04:00
cac22c216a update kk index entries 2024-10-02 14:37:03 -04:00
26aadc25ad Update fix_cmap.rst 2024-10-02 14:31:54 -04:00
26b83602be Update Commands_fix.rst 2024-10-02 13:56:21 -04:00
8a25871db5 Update region.rst 2024-10-02 13:45:59 -04:00