|
|
86059433f6
|
Merge pull request #2570 from kipbarrett/pair_rann
Add new Package USER-RANN with pair style rann for using a neural network to compute energies and forces
|
2021-05-27 13:07:26 -04:00 |
|
|
|
0713e95873
|
integrate documentation
|
2021-05-26 16:55:51 -04:00 |
|
|
|
409dd02eae
|
Merge remote-tracking branch 'origin/master' into doc_versions
|
2021-05-26 15:54:56 -04:00 |
|
|
|
0f5a1178fb
|
we don't need txt2rst and txt2html anymore
|
2021-05-25 22:14:29 -04:00 |
|
|
|
d3bf00769c
|
a couple more URL fixes
|
2021-05-25 22:14:00 -04:00 |
|
|
|
04defbf49c
|
Merge remote-tracking branch 'github/master' into collected-small-changes
|
2021-05-25 18:57:34 -04:00 |
|
|
|
14f989b086
|
Also use current_version in layout.html
|
2021-05-25 17:36:52 -04:00 |
|
|
|
e1c5cfd372
|
Add LAMMPS_WEBSITE_BUILD_VERSION to set current doc version
|
2021-05-25 17:23:34 -04:00 |
|
|
|
c10812644d
|
correct citation
|
2021-05-25 17:17:16 -04:00 |
|
|
|
735c5c52dc
|
Merge remote-tracking branch 'origin/master' into doc_versions
|
2021-05-25 17:15:23 -04:00 |
|
|
|
a3a2bdc8f6
|
Keep version in header, only show selector if LAMMPS_WEBSITE_BUILD is set
|
2021-05-25 17:15:17 -04:00 |
|
|
|
31a55f1f76
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-05-16 22:54:29 +02:00 |
|
|
|
7d40eb3cac
|
fix issue with commands docs not being kept separate from programmer guide
|
2021-05-15 00:26:19 -04:00 |
|
|
|
492d82904f
|
add false positives
|
2021-05-14 23:51:43 -04:00 |
|
|
|
59cc481108
|
change config entry for post 3.5 sphinx versions and enable permalinks
|
2021-05-14 23:51:33 -04:00 |
|
|
|
cf18ec6cc6
|
Add selection of Manual version
|
2021-05-14 11:10:15 -04:00 |
|
|
|
33205ed91f
|
Use "mdi/engine" consistenty, complete integration in manual, spelling
|
2021-05-13 09:57:08 -04:00 |
|
|
|
ed75618ad6
|
integrate USER-BROWNIAN package into the documentation proper
|
2021-05-11 18:31:59 -04:00 |
|
|
|
9d40f85919
|
address spelling issues
|
2021-05-07 18:46:01 -04:00 |
|
|
|
6f5881e151
|
Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
|
2021-04-30 13:26:16 -04:00 |
|
|
|
8d8158396f
|
Merge pull request #2721 from agiliopadua/examples
New examples for FEP calculation and references in doc pages
|
2021-04-30 12:55:57 -04:00 |
|
|
|
85ba1e9e3b
|
Fix documentation build by adding explicit dependency to six
|
2021-04-30 12:27:21 -04:00 |
|
|
|
95285f9365
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-26 23:52:59 +02:00 |
|
|
|
b0cd6b3ef7
|
improve docs also for related functions
|
2021-04-24 22:08:28 -04:00 |
|
|
|
8e5e995188
|
add docs for new utility function
|
2021-04-24 21:32:29 -04:00 |
|
|
|
8fc9eb26bc
|
address spell checker warnings
|
2021-04-23 15:08:20 -04:00 |
|
|
|
8ea5b8c41b
|
add false positives for recently added docs
|
2021-04-23 11:22:50 -04:00 |
|
|
|
7e2d40c5fa
|
Merge pull request #2642 from rbberger/balance_tests
MPI balancing testing
|
2021-04-21 16:00:01 -04:00 |
|
|
|
56be6d8ec2
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-04-20 23:20:14 +02:00 |
|
|
|
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 |
|
|
|
7b9dfb296d
|
Renamed pair style, user package: nnp => hdnnp
|
2021-04-01 00:35:17 +02:00 |
|
|
|
6dfd475175
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-03-31 23:24:11 +02:00 |
|
|
|
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 |
|
|
|
992d0e13aa
|
Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
|
2021-02-24 23:37:21 +01:00 |
|
|
|
e713a931d3
|
Added lots of docs, finished CMake script
|
2021-02-24 17:57:24 +01:00 |
|
