|
|
692bdaea37
|
reorder
|
2023-01-12 18:28:01 -05:00 |
|
|
|
27961907ad
|
small doc tweaks
|
2023-01-11 21:23:57 -05:00 |
|
|
|
ee77055e49
|
make consistent
|
2023-01-11 06:46:02 -05:00 |
|
|
|
b3396f109b
|
Merge pull request #3589 from akohlmey/collected-small-fixes
Collected small fixes and changes
|
2023-01-09 19:07:03 -05:00 |
|
|
|
d907baac83
|
sync docs with fire minimizer code features
|
2023-01-09 13:30:29 -05:00 |
|
|
|
954f6ed1f3
|
fix double word
|
2023-01-08 15:51:22 -05:00 |
|
|
|
6c914a7e37
|
add support for a custom zbl() function to lepton pair styles
|
2023-01-08 01:26:41 -05:00 |
|
|
|
6a8df032b6
|
Merge pull request #3582 from athomps/sllod_variants
Implement sllod variants
|
2023-01-06 21:55:10 -05:00 |
|
|
|
be5cede69f
|
Merge pull request #3551 from akohlmey/compute-efield-atom-wolf
Add new compute efield/wolf/atom command
|
2023-01-06 20:29:38 -05:00 |
|
|
|
fbbe66c8bd
|
Merge branch 'develop' into lepton-package
|
2023-01-06 17:53:23 -05:00 |
|
|
|
af72a957f8
|
reorder lines, so syntax highlighting does not get messed up
|
2023-01-06 10:07:05 -05:00 |
|
|
|
909bbcfdbd
|
a few more tweaks for consistency
|
2023-01-06 09:03:00 -05:00 |
|
|
|
92df9f1c71
|
update docs
|
2023-01-06 08:43:44 -05:00 |
|
|
|
3f496905d6
|
Merge branch 'develop' into lepton-package
|
2023-01-06 00:44:28 -05:00 |
|
|
|
69169031ba
|
spelling
|
2023-01-06 00:00:24 -05:00 |
|
|
|
289d319a6c
|
drop a few more command prompt characters
|
2023-01-06 00:00:14 -05:00 |
|
|
|
8dc7a37ba0
|
register KOKKOS acceleration for pair style
|
2023-01-05 23:59:32 -05:00 |
|
|
|
01d9033e2d
|
Merge branch 'develop' into collected-small-changes
|
2023-01-05 23:36:45 -05:00 |
|
|
|
3bf527d070
|
Merge pull request #3579 from akohlmey/linalg-in-cpp
Convert linalg library from Fortran to C++
|
2023-01-05 21:16:06 -05:00 |
|
|
|
843cc98531
|
Merge pull request #3569 from jrgissing/type-labels-bond/react-examples
Type labels for bond/react examples
|
2023-01-05 19:22:43 -05:00 |
|
|
|
821b34de78
|
Merge pull request #3585 from yury-lysogorskiy/feature/pace-extrapolation-kokkos
Feature/pace extrapolation kokkos
|
2023-01-05 19:15:49 -05:00 |
|
|
|
9a0fd9d237
|
clarifications and documentation additions
|
2023-01-05 17:47:47 -05:00 |
|
|
|
e40ef346fe
|
Merge pull request #3573 from akohlmey/angle-write
Implement angle_write and dihedral_write commands
|
2023-01-05 17:32:38 -05:00 |
|
|
|
c8a33aefd4
|
add versionadded tag
|
2023-01-05 08:49:35 -05:00 |
|
|
|
67c50e4d4f
|
call macOS consistently macOS
|
2023-01-05 08:33:08 -05:00 |
|
|
|
6104b2241f
|
add note about how to add OpenMP support to Xcode on macOS
|
2023-01-05 08:32:30 -05:00 |
|
|
|
3df61dac6f
|
Build of the manual now uses venv instead of virtualenv which is bundled with python 3
macOS now includes python3
|
2023-01-05 08:32:08 -05:00 |
|
|
|
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 |
|
