|
|
461dd67bb4
|
Clarifying Tsuji damping doc, removing overloaded variable
|
2024-11-26 10:37:13 -07:00 |
|
|
|
1beb4b17ec
|
Clarifying doc on arguments for coeff rest damping
|
2024-11-26 10:15:26 -07:00 |
|
|
|
471fdf27cd
|
Typo in bond failure subscripts
|
2024-11-22 14:59:51 -07:00 |
|
|
|
e192c4d583
|
Minor edits to workflow doc
|
2024-11-13 09:11:22 -07:00 |
|
|
|
8dfb63206e
|
extra space
|
2024-11-13 08:56:23 -07:00 |
|
|
|
0463434ff9
|
adding hyperlink
|
2024-11-13 08:55:25 -07:00 |
|
|
|
0f2fd8a882
|
Pesky backticks
|
2024-11-13 08:51:57 -07:00 |
|
|
|
5928389c5e
|
Merge pull request #4312 from navlalli/qtpie
Add fix qtpie/reaxff
|
2024-11-13 07:42:07 -05:00 |
|
|
|
2d2bc029a4
|
Merge branch 'develop' into qtpie
|
2024-11-12 11:37:40 -08:00 |
|
|
|
5673375d21
|
Add more related commands to docs
|
2024-11-12 12:32:37 -07:00 |
|
|
|
f84b9f350e
|
Merge branch 'develop' of https://github.com/lammps/lammps into alphataubio-kokkos-fixes
|
2024-11-08 14:53:37 -08:00 |
|
|
|
a445545ffb
|
Merge pull request #4371 from evoyiatzis/patch-2
fix typo in compute_temp_partial.rst
|
2024-11-08 09:30:26 -07:00 |
|
|
|
e84c45c6e7
|
Fix whitespace
|
2024-11-08 10:38:49 +00:00 |
|
|
|
95899b53b8
|
Add fix qtpie/reaxff to pair_style reaxff docs
|
2024-11-08 10:26:47 +00:00 |
|
|
|
572be91b76
|
fix typo in compute_temp_partial.rst
|
2024-11-06 11:27:45 +01:00 |
|
|
|
95509c4ef0
|
Referencing other methods compatible with BPM package
|
2024-11-05 15:47:59 -07:00 |
|
|
|
c057b36c15
|
Merge branch 'develop' into alphataubio-kokkos-fixes
|
2024-10-30 21:50:36 -04:00 |
|
|
|
6d634dc646
|
Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
|
2024-10-29 21:31:03 -04:00 |
|
|
|
a5ab8be0a2
|
Clarify restriction on periodic cell dimensions
|
2024-10-25 14:16:25 +01:00 |
|
|
|
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 |
|
|
|
81f71716ba
|
Merge branch 'develop' into BPM
|
2024-10-22 20:59:12 -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 |
|
|
|
1678e2af28
|
adjusting howto text to reflect additional BPM/spring options.
|
2024-10-21 21:21:15 -06:00 |
|
|
|
4779cc44ef
|
documenting bpm anharmonic
|
2024-10-21 15:07:24 -06:00 |
|
|
|
baf1733b9a
|
documenting bpm multibody
|
2024-10-21 15:07:06 -06:00 |
|
|
|
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 |
|
