|
|
85ba1e9e3b
|
Fix documentation build by adding explicit dependency to six
|
2021-04-30 12:27:21 -04:00 |
|
|
|
7e2d40c5fa
|
Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
|
2021-04-21 16:00:01 -04:00 |
|
|
|
9bc353e5bd
|
Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
|
2021-04-12 18:49:03 -04:00 |
|
|
|
e95cbf618b
|
Merge branch 'master' into charge_regulation2
|
2021-04-12 09:55:15 -04:00 |
|
|
|
0496626533
|
Merge branch 'master' into feature/user-pace
|
2021-04-07 16:26:26 -04:00 |
|
|
|
feda2dc08d
|
Updated doc page and spelling
|
2021-04-07 14:07:58 -06:00 |
|
|
|
17355f967a
|
address spelling and manual processing issues
|
2021-04-03 11:11:18 -04:00 |
|
|
|
e613da98d6
|
Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
|
2021-04-02 15:08:44 -04:00 |
|
|
|
06ee5be2ce
|
Fix unhandled cases in docs LAMMPS syntax highlighting
|
2021-03-19 18:51:21 -04:00 |
|
|
|
024a9600b1
|
update docs
|
2021-03-18 18:20:32 -04:00 |
|
|
|
18be1a2ea3
|
fix typo in false positives
|
2021-03-14 05:45:25 -04:00 |
|
|
|
19c042c8d2
|
add false positives
|
2021-03-11 21:19:49 -05:00 |
|
|
|
7ae2da0ace
|
Merge pull request #2641 from pedroantoniosantosf/mliap_nn
Add support for neural network (nn) models to MLIAP package to compute energies and forces without going through Python
|
2021-03-08 20:27:01 -05:00 |
|
|
|
eee08204c3
|
Merge branch 'master' into mliap_nn
|
2021-03-05 22:14:57 -05:00 |
|
|
|
0b9675807b
|
Fix typos
|
2021-03-04 17:48:44 -05:00 |
|
|
|
cf04303daf
|
Final edits to doc page
|
2021-03-03 14:27:04 -07:00 |
|
|
|
e75f1f2f82
|
Merge branch 'master' into relres-update
|
2021-02-28 23:20:44 -05:00 |
|
|
|
cac03a85f3
|
add false positive
|
2021-02-28 23:19:45 -05:00 |
|
|
|
dfae88cf13
|
address spelling issues
|
2021-02-25 23:11:41 -05:00 |
|
|
|
293ebad98f
|
Merge branch 'master' into kim_commands
|
2021-02-23 09:34:32 -05:00 |
|
|
|
31a878bcd6
|
remove the old kim commands
|
2021-02-23 06:12:10 -06:00 |
|
|
|
53fdaa5741
|
Merge pull request #2603 from wmbrownIntel/gpu-updateFeb2021
GPU Package Update February 2021
|
2021-02-17 19:04:55 -05:00 |
|
|
|
f367e66aba
|
documentation corrections, spelling fixes and updates
|
2021-02-17 18:47:35 -05:00 |
|
|
|
e7a37877c0
|
apply changes to doc Makefile to limit the impact of SNL network config changes
|
2021-02-16 11:40:25 -05:00 |
|
|
|
f705d49d45
|
reformat docs, correct spelling errors, and update false positives list
|
2021-02-11 09:17:14 -05:00 |
|
|
|
006de01c05
|
update false positives list for spell checking
|
2021-02-10 12:20:04 -05:00 |
|
|
|
418135667f
|
address a whole bunch of spelling issues that suddenly popped up.
|
2021-02-09 12:38:46 -05:00 |
|
|
|
cd31c99c68
|
update false positives for added docs
|
2021-02-09 08:27:19 -05:00 |
|
|
|
960713be3b
|
make recent change to fix ti/spring docs use mathjax
|
2021-02-05 17:01:28 -05:00 |
|
|
|
26ea789834
|
add some documentation for the programmer guide and doxygen decorations
|
2021-01-31 23:06:59 -05:00 |
|
|
|
740ae28e3d
|
address spelling issues
|
2021-01-28 03:59:30 -05:00 |
|
|
|
5e6411ea5a
|
Merge pull request #2514 from oywg11/tersoff-shift
Add a shift option to most Tersoff potential variants
|
2021-01-15 13:59:56 -05:00 |
|
|
|
a3d21297bc
|
complete integration of eam/he pair style into manual
|
2021-01-13 22:37:29 -05:00 |
|
|
|
cbca189490
|
Merge branch 'master' into tersoff-shift
|
2021-01-11 04:30:11 -05:00 |
|
|
|
47b4504917
|
Merge branch 'master' into tersoff-shift
|
2021-01-04 22:19:59 -05:00 |
|
|
|
dd69e26cb5
|
Added clarification of threebody typing of R
|
2021-01-02 19:51:23 -07:00 |
|
|
|
0eb3c01eb8
|
Added false positives
|
2021-01-02 17:14:17 -07:00 |
|
|
|
0e83e792d0
|
add false positives
|
2020-12-29 20:31:00 -05:00 |
|
|
|
427d037747
|
Merge pull request #2508 from athomps/mliappy3
Add support for Python based models to the MLIAP package
|
2020-12-29 09:59:43 -05:00 |
|
|
|
800ff0f1c2
|
update spelling/grammar and false positives
|
2020-12-20 15:02:59 -05:00 |
|
|
|
4c7f71bef3
|
Merge branch 'master' into mliappy3
|
2020-12-18 09:16:44 -05:00 |
|
|
|
7a9d6611d9
|
add false positive
|
2020-12-15 20:36:27 -05:00 |
|
|
|
851f0775f1
|
Fixed spelling errors
|
2020-12-04 11:59:01 -07:00 |
|
|
|
40dd4e57fb
|
Merge pull request #2467 from jrgissing/bond/react-delete_atoms_bugfix
Bond/react: molecule keyword + bugfixes
|
2020-11-30 15:35:14 -05:00 |
|
|
|
bddbc516b5
|
Merge branch 'master' into collected-small-changes
|
2020-11-29 12:26:30 -05:00 |
|
|
|
5af15984e5
|
fix typos and remove false false positive
|
2020-11-27 15:16:32 -05:00 |
|
|
|
d5d151f34d
|
complete first draft of unit test documentation
|
2020-11-25 16:51:44 -05:00 |
|
|
|
7f6638b681
|
more unittest docs
|
2020-11-25 16:51:43 -05:00 |
|
|
|
2b6c995e12
|
more unittest docs
|
2020-11-25 16:51:42 -05:00 |
|
|
|
bbe50ab5c1
|
more documentation for adding unittest
|
2020-11-25 16:51:42 -05:00 |
|
