Commit Graph

7403 Commits

Author SHA1 Message Date
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
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
7693e96828 change globbed toc script from bash to python 2024-10-10 17:24:23 -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
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
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
fff1456553 Update fix_wall_region.rst 2024-10-02 13:43:23 -04:00
89346740e1 Update fix_recenter.rst 2024-10-02 13:42:13 -04:00
a8acd9b573 Update fix_nve_limit.rst 2024-10-02 13:41:41 -04:00
9daa1b715a Merge branch 'lammps:develop' into alphataubio-kokkos-fixes 2024-10-01 02:13:26 -04:00
b25e370e63 some more fixes and rewording 2024-09-30 15:42:34 -04:00
a31f083bab update read_dump docs with respect to reading xyz style dump files 2024-09-30 14:54:35 -04:00
d86de2862b Make signs consistent with efield = -grad(phi) 2024-09-30 12:10:33 +01:00
d33ecd6bbf reorder ctip style 2024-09-29 05:58:02 -06:00
ba071fe55a Merge branch 'develop' into small-patches 2024-09-27 15:30:31 -06:00
13591dbdb0 Changing pour insertion note box 2024-09-26 20:02:47 -06:00
4436197081 PAdding possible note to fix pour doc 2024-09-26 16:14:57 -06:00
350551ecac Fix whitespace 2024-09-26 21:27:53 +01:00
5ee63d7afe documenting fix nonaffine/disp's incompatability with rerun 2024-09-26 13:06:32 -06:00
5d0f1aeeaf Expand documentation 2024-09-26 17:21:16 +01:00