|
|
4012897bff
|
whitespace fixes and clang-format
|
2022-07-01 21:19:12 -04:00 |
|
|
|
146b00c395
|
Merge pull request #3307 from lammps/fix-mdi-aimd-enhance
MDI package enhancements
|
2022-07-01 20:48:40 -04:00 |
|
|
|
ae7215037d
|
Finish porting pair MEAM to Kokkos
|
2022-07-01 11:20:51 -06:00 |
|
|
|
957a8c85a9
|
formatting corrections and minor tweaks to the Argon viscosity howto
|
2022-07-01 09:26:23 -04:00 |
|
|
|
41bb5850b3
|
Fixed temperature in argon GK example
|
2022-07-01 00:36:43 -04:00 |
|
|
|
454c39ae21
|
Invert skipping flag logic. Update keyword and doc to match.
|
2022-06-30 14:21:11 -06:00 |
|
|
|
419460f13b
|
Note limitations on threebody in doc
|
2022-06-30 13:30:26 -06:00 |
|
|
|
ba1c4e8e81
|
Defining conduction from area, a
|
2022-06-29 15:34:39 -06:00 |
|
|
|
bb3cd71e77
|
Merge branch 'develop' into collected-small-fixes
|
2022-06-29 16:43:47 -04:00 |
|
|
|
646fe885c2
|
Merge branch 'develop' into boolean-bug
|
2022-06-29 12:25:44 -04:00 |
|
|
|
1fabd5a56b
|
change boolean = single string to an error
|
2022-06-29 07:49:22 -06:00 |
|
|
|
6a37a75bcf
|
add compute_pace_atom.rst
|
2022-06-29 15:18:39 +02:00 |
|
|
|
f8ddeb033c
|
change default is_dump_extrapolative_structures=false
add pair_pace.rst
|
2022-06-29 14:38:37 +02:00 |
|
|
|
7317c5de38
|
Merge branch 'develop' into collected-small-fixes
|
2022-06-29 05:13:24 -04:00 |
|
|
|
9a05cd3e98
|
Fix gramatical errors
|
2022-06-28 16:59:32 -06:00 |
|
|
|
e4e9b2e49a
|
more consistency checks
|
2022-06-28 16:37:04 -06:00 |
|
|
|
e8c2dcc693
|
Fix doc example and doc note.
|
2022-06-28 16:25:35 -06:00 |
|
|
|
03962ba0f4
|
fix spelling in MDI docs
|
2022-06-28 13:58:42 -04:00 |
|
|
|
141d09ab9b
|
Merge branch 'develop' into fix-mdi-aimd-enhance
# Conflicts:
# doc/src/fix_mdi_aimd.rst
|
2022-06-28 13:38:43 -04:00 |
|
|
|
7aabbba7ff
|
whitespace
|
2022-06-28 13:37:33 -04:00 |
|
|
|
f65bc76326
|
Merge pull request #3305 from athomps/compute-grid-new
Compute grid for ML-SNAP
|
2022-06-28 09:00:38 -04:00 |
|
|
|
1d3f865d1b
|
Initial changes to the doc
|
2022-06-28 00:00:15 -06:00 |
|
|
|
b1b580cc04
|
Final tidying up
|
2022-06-27 17:03:02 -06:00 |
|
|
|
4de3f7ed69
|
intergrate references to dump cfg/uef into the dump command docs
|
2022-06-25 06:15:49 -04:00 |
|
|
|
1817b12332
|
Merge branch 'develop' into amoeba
|
2022-06-24 17:01:46 -06:00 |
|
|
|
1c709eb1ef
|
udpate doc pages for ELEMENTS command
|
2022-06-24 15:31:09 -06:00 |
|
|
|
14d472d691
|
First 3 columns are reference forces and indices, instead of last 3 columns.
|
2022-06-23 16:30:53 -06:00 |
|
|
|
92ae5f656c
|
Change docs.
|
2022-06-23 12:45:20 -06:00 |
|
|
|
19dcd9c623
|
Merge branch 'lammps:develop' into compute-snap
|
2022-06-23 14:05:11 -04:00 |
|
|
|
53dd173549
|
Merge branch 'develop' into shake-with-minimize
|
2022-06-23 06:22:57 -04:00 |
|
|
|
1099199e93
|
remove any remap related documentation. add paragraph about file compatibility
|
2022-06-22 14:22:23 -04:00 |
|
|
|
2396c16026
|
Update example and docs.
|
2022-06-22 09:32:41 -06:00 |
|
|
|
9b8c19c1a5
|
correct docs about how to get synchronized timings
|
2022-06-22 10:24:56 -04:00 |
|
|
|
b0f4ef8a39
|
update docs for noremap option to read_restart
|
2022-06-21 20:19:13 -04:00 |
|
|
|
f831a776be
|
correct python example
|
2022-06-18 22:25:32 -04:00 |
|
|
|
1faa7397d3
|
Fixing complier issues, adding dump options, initail conduction
|
2022-06-18 10:11:57 -06:00 |
|
|
|
eb69bb28b8
|
add missing style index entries
|
2022-06-17 21:52:57 -04:00 |
|
|
|
b3fea1cb71
|
make spellchecker happy
|
2022-06-17 19:48:09 -04:00 |
|
|
|
86f0a62ee0
|
Cleaned up programming style
|
2022-06-17 17:16:02 -06:00 |
|
|
|
06ffed1965
|
update doc pages
|
2022-06-17 12:11:13 -06:00 |
|
|
|
ec411df9ec
|
Merge branch 'develop' into compute-grid-new
|
2022-06-17 12:51:02 -04:00 |
|
|
|
f27e9941ae
|
fix homepage urls, tabs & trailing whitespace, remove errors from headers
|
2022-06-17 12:48:24 -04:00 |
|
|
|
e66229dadb
|
update docs
|
2022-06-17 06:19:57 -04:00 |
|
|
|
7656efe866
|
Merge branch 'shake-with-minimize' of github.com:akohlmey/lammps into shake-with-minimize
|
2022-06-17 05:17:16 -04:00 |
|
|
|
330ae13772
|
Merge branch 'develop' into shake-with-minimize
|
2022-06-17 05:03:01 -04:00 |
|
|
|
a7c5b5e8fd
|
Finsished documentation
|
2022-06-16 20:22:40 -06:00 |
|
|
|
dd3aab0c66
|
Merge pull request #3300 from lammps/doc-package-update
Update package affiliation for Zhen Li
|
2022-06-16 18:04:45 -04:00 |
|
|
|
1403a0dd94
|
update affilication for Zhen Li
|
2022-06-15 08:22:59 -06:00 |
|
|
|
9842879db1
|
fix typos
|
2022-06-15 08:14:53 -04:00 |
|
|
|
34863c6c97
|
updates to fix_mdi_qm for multiple sims
|
2022-06-14 10:14:36 -06:00 |
|
