|
|
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 |
|