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445 Commits

Author SHA1 Message Date
Axel Kohlmeyer 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
Richard Berger 06ee5be2ce
Fix unhandled cases in docs LAMMPS syntax highlighting 2021-03-19 18:51:21 -04:00
Axel Kohlmeyer 024a9600b1
update docs 2021-03-18 18:20:32 -04:00
Axel Kohlmeyer 18be1a2ea3
fix typo in false positives 2021-03-14 05:45:25 -04:00
Axel Kohlmeyer 19c042c8d2
add false positives 2021-03-11 21:19:49 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer eee08204c3
Merge branch 'master' into mliap_nn 2021-03-05 22:14:57 -05:00
Aidan Thompson cf04303daf Final edits to doc page 2021-03-03 14:27:04 -07:00
Axel Kohlmeyer e75f1f2f82
Merge branch 'master' into relres-update 2021-02-28 23:20:44 -05:00
Axel Kohlmeyer cac03a85f3
add false positive 2021-02-28 23:19:45 -05:00
Axel Kohlmeyer dfae88cf13
address spelling issues 2021-02-25 23:11:41 -05:00
Axel Kohlmeyer 293ebad98f
Merge branch 'master' into kim_commands 2021-02-23 09:34:32 -05:00
Yaser Afshar 31a878bcd6
remove the old kim commands 2021-02-23 06:12:10 -06:00
Axel Kohlmeyer 53fdaa5741
Merge pull request #2603 from wmbrownIntel/gpu-updateFeb2021 
GPU Package Update February 2021
 2021-02-17 19:04:55 -05:00
Axel Kohlmeyer f367e66aba
documentation corrections, spelling fixes and updates 2021-02-17 18:47:35 -05:00
Axel Kohlmeyer e7a37877c0
apply changes to doc Makefile to limit the impact of SNL network config changes 2021-02-16 11:40:25 -05:00
Axel Kohlmeyer 006de01c05
update false positives list for spell checking 2021-02-10 12:20:04 -05:00
Axel Kohlmeyer 418135667f
address a whole bunch of spelling issues that suddenly popped up. 2021-02-09 12:38:46 -05:00
Axel Kohlmeyer cd31c99c68
update false positives for added docs 2021-02-09 08:27:19 -05:00
Axel Kohlmeyer 960713be3b
make recent change to fix ti/spring docs use mathjax 2021-02-05 17:01:28 -05:00
Axel Kohlmeyer 26ea789834
add some documentation for the programmer guide and doxygen decorations 2021-01-31 23:06:59 -05:00
Axel Kohlmeyer 740ae28e3d
address spelling issues 2021-01-28 03:59:30 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer a3d21297bc
complete integration of eam/he pair style into manual 2021-01-13 22:37:29 -05:00
Axel Kohlmeyer cbca189490
Merge branch 'master' into tersoff-shift 2021-01-11 04:30:11 -05:00
Axel Kohlmeyer 47b4504917
Merge branch 'master' into tersoff-shift 2021-01-04 22:19:59 -05:00
Aidan Thompson dd69e26cb5 Added clarification of threebody typing of R 2021-01-02 19:51:23 -07:00
Aidan Thompson 0eb3c01eb8 Added false positives 2021-01-02 17:14:17 -07:00
Axel Kohlmeyer 0e83e792d0
add false positives 2020-12-29 20:31:00 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer 800ff0f1c2
update spelling/grammar and false positives 2020-12-20 15:02:59 -05:00
Richard Berger 4c7f71bef3
Merge branch 'master' into mliappy3 2020-12-18 09:16:44 -05:00
Axel Kohlmeyer 7a9d6611d9
add false positive 2020-12-15 20:36:27 -05:00
Aidan Thompson 851f0775f1 Fixed spelling errors 2020-12-04 11:59:01 -07:00
Richard Berger 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
Richard Berger bddbc516b5
Merge branch 'master' into collected-small-changes 2020-11-29 12:26:30 -05:00
Axel Kohlmeyer 5af15984e5
fix typos and remove false false positive 2020-11-27 15:16:32 -05:00
Axel Kohlmeyer d5d151f34d
complete first draft of unit test documentation 2020-11-25 16:51:44 -05:00
Axel Kohlmeyer 7f6638b681
more unittest docs 2020-11-25 16:51:43 -05:00
Axel Kohlmeyer 2b6c995e12
more unittest docs 2020-11-25 16:51:42 -05:00
Axel Kohlmeyer bbe50ab5c1
more documentation for adding unittest 2020-11-25 16:51:42 -05:00
Axel Kohlmeyer abdfcceab2
Merge branch 'master' into bond_gaussian 2020-11-25 15:50:54 -05:00
Axel Kohlmeyer 2d69051cdf
add documentation for sublo/subhi extracted flags. add corresponding entries to get data type. 2020-11-19 19:24:36 -05:00
Jacob Gissinger 9306f8a905
Merge pull request #111 from lammps/master 
rebase
 2020-11-19 15:29:08 -05:00
Jacob Gissinger dba84be75a Update false_positives.txt 2020-11-19 13:52:58 -05:00
Richard Berger 724a9978c8
Merge branch 'master' into exchange-biquadratic 2020-11-12 10:39:10 -05:00
Tim Bernhard d1ce362fca Remove wrong word 'regoin' from false positive list 2020-11-10 17:15:42 +01:00
Axel Kohlmeyer 9a3f935c9b
do not include polyfill.js anymore 2020-10-27 20:17:59 -04:00
julient31 bfb8f0f4c0 Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic 2020-10-27 09:41:19 -06:00
Axel Kohlmeyer efd31fbb60
fix up placement of polyfill loader layout.html and load it only for internet explorer 2020-10-26 21:03:05 -04:00