|
|
501a5a7090
|
Print warning about unsorted custom dumps without atom IDs. Explain in manual.
|
2023-01-04 08:42:43 -05:00 |
|
|
|
5cbe303af4
|
Merge branch 'develop' into collected-small-changes
|
2023-01-04 07:28:03 -05:00 |
|
|
|
2e74813155
|
grammar
|
2023-01-04 05:43:40 -05:00 |
|
|
|
0522c33288
|
Merge pull request #3572 from hammondkd/fortran2_updates
Mark Fortran2 library interface as obsolescent, remove Fortran 77 one.
|
2023-01-03 15:04:36 -05:00 |
|
|
|
dac37938f8
|
update suffix handling to be consistent (also with pending fix pair changes)
|
2023-01-03 14:16:50 -05:00 |
|
|
|
bcb5285ef9
|
update / correct suffix handling in fix pair
|
2023-01-03 14:15:12 -05:00 |
|
|
|
e8b4001bdd
|
add versionadded tag
|
2023-01-03 13:28:19 -05:00 |
|
|
|
d9abc3fcc0
|
update CUDA Toolkit / GPU compatibility lists and GPU package compilation settings
|
2023-01-03 11:56:44 -05:00 |
|
|
|
577d190de2
|
remove bogus 4th per-atom entry.
|
2023-01-03 11:12:53 -05:00 |
|
|
|
cfdc70532f
|
Merge branch 'develop' into compute-efield-atom-wolf
|
2023-01-03 10:51:33 -05:00 |
|
|
|
cfbc2d8894
|
update pair_pace.rst
|
2023-01-03 14:48:25 +01:00 |
|
|
|
7c66aeddf7
|
update and correct sllod thermostat docs
|
2022-12-31 22:24:17 -05:00 |
|
|
|
2479624a76
|
Added psllod keyword to toggle between SLLOD and p-SLLOD
|
2022-12-31 16:47:13 -07:00 |
|
|
|
251f9d7778
|
make consistent with other doc files
|
2022-12-31 15:12:29 -05:00 |
|
|
|
d2f3c474dd
|
Use correct RST heading syntax
|
2022-12-31 07:52:57 -05:00 |
|
|
|
4a327649b5
|
fix a few entries, update links and tweak to reduce the table width
|
2022-12-30 10:12:05 -05:00 |
|
|
|
c6b73dc710
|
whitespace
|
2022-12-30 09:53:48 -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 |
|
|
|
33711ac36e
|
make code-block formatting more consistent and align with documented conventions
|
2022-12-30 06:46:09 -05:00 |
|
|
|
406289d0f9
|
update documentation conventions. add notes about adding packages
|
2022-12-30 06:45:08 -05:00 |
|
|
|
3b9799410b
|
synchronize list with Build_extras.rst
|
2022-12-30 06:35:45 -05:00 |
|
|
|
f9a398c9a8
|
add to list
|
2022-12-30 06:33:10 -05:00 |
|
|
|
7d58811ad0
|
prevent installing Sphinx 6.0.0 which will require updates to the theme
|
2022-12-29 11:38:37 -05:00 |
|
|
|
b0e8ec47da
|
update manual for linalg being C++ now.
|
2022-12-28 13:45:13 -05:00 |
|
|
|
5dbb0e7455
|
update format of rst files
|
2022-12-27 21:30:11 -05:00 |
|
|
|
b28607234e
|
update rst file formatting. work around duplicate target issue.
|
2022-12-27 21:29:37 -05:00 |
|
|
|
52fcd08e1c
|
reformat colvars related docs. add false positive for spellchecker
|
2022-12-27 21:15:33 -05:00 |
|
|
|
d10e7195dc
|
add missing entries for dihedral style lepton
|
2022-12-27 21:13:34 -05:00 |
|
|
|
24b16cf130
|
More updates to fix colvars doc
|
2022-12-27 20:27:38 -05:00 |
|
|
|
afae6222b0
|
Update build instructions for COLVARS package
|
2022-12-27 20:02:44 -05:00 |
|
|
|
7fb9ee1147
|
clarify
|
2022-12-27 10:29:25 -05:00 |
|
|
|
e55396a25d
|
fix typo
|
2022-12-26 16:47:37 -05:00 |
|
|
|
a5742a9147
|
make lepton package docs more consistent
|
2022-12-26 16:45:49 -05:00 |
|
|
|
5a99cf0dd5
|
add dihedral style lepton including /omp variant
|
2022-12-26 16:44:49 -05:00 |
|
|
|
e9dbdc7d1a
|
clarify and reformat
|
2022-12-26 06:34:53 -05:00 |
|
|
|
63ddb07c59
|
add versionadded tags
|
2022-12-25 07:04:20 -05:00 |
|
|
|
4ac830bf73
|
add dihedral_write command
|
2022-12-25 07:01:37 -05:00 |
|
|
|
bbfc7381fb
|
updates and corrections for docs
|
2022-12-25 06:54:53 -05:00 |
|
|
|
4ee8dea4b3
|
improve bond_write docs and fix minor issues
|
2022-12-24 23:05:47 -05:00 |
|
|
|
da98363a25
|
implement angle_write command
|
2022-12-24 22:52:16 -05:00 |
|
|
|
24e5fafd7f
|
more documentation tweaks and corrections. make consistent across package styles
|
2022-12-24 15:38:58 -05:00 |
|
|
|
be01ec2e07
|
document variable substitution
|
2022-12-24 05:53:18 -05:00 |
|
|
|
93cfa6ef30
|
fix typo. more clarifications
|
2022-12-24 01:16:51 -05:00 |
|
|
|
3d7082499d
|
update docs to include angle style lepton
|
2022-12-23 16:07:14 -05:00 |
|
|
|
a2af2b4135
|
add versionadded tags
|
2022-12-23 12:15:36 -05:00 |
|
|
|
ea0a91f2bc
|
Merge branch 'develop' of https://github.com/lammps/lammps into kk_occupancy
|
2022-12-23 08:54:23 -07:00 |
|
|
|
8a2257f568
|
remove the obsolete legacy fortran 77 wrapper. update Fortran section of manual.
|
2022-12-23 06:56:07 -05:00 |
|
|
|
b67dcd7ca3
|
small tweaks
|
2022-12-23 06:30:00 -05:00 |
|
|
|
09871a0178
|
mention JIT
|
2022-12-22 23:32:06 -05:00 |
|
