|
|
b109fd1687
|
Commit JT 111919
- modified named of tests, from benchmark to validation
|
2019-11-19 12:50:52 -07:00 |
|
|
|
31ac2f3bd1
|
Commit2 JT 151119
- adding doc exceptions to false-positives
|
2019-11-15 11:42:04 -07:00 |
|
|
|
39ca4c85b7
|
Merge branch 'clean-master2' of github.com:julient31/lammps into zeeman-rework
|
2019-11-15 11:25:52 -07:00 |
|
|
|
0346a3d6d1
|
Commit JT 111519
- add README file to the benchmark examples repo
- removed comments from src/SPIN files
|
2019-11-15 10:53:39 -07:00 |
|
|
|
cedcc6fc50
|
Commit JT 111519
- modified documentation spin (compute and exchange)
- modified compute spin for Ts
|
2019-11-15 09:27:02 -07:00 |
|
|
|
5d042cf629
|
Merge pull request #1740 from cabb99/master
Fix print patch to allow print on rerun
|
2019-11-14 09:25:50 -05:00 |
|
|
|
60fe0c0b86
|
Silence compiler warning
|
2019-11-14 09:24:56 -05:00 |
|
|
|
93bd2f4ab0
|
Commit JT 111319
- addind 4 first benchmark examples (in examples/SPIN/benchmark)
- corrected typo in examples (in dump commands)
|
2019-11-13 20:46:28 -07:00 |
|
|
|
1955c57791
|
make fix print work the same for run, multiple runs, rerun
|
2019-11-12 10:16:50 -07:00 |
|
|
|
de7a8c6559
|
Merge pull request #1768 from ellio167/doc-conda
Add Install_conda doc
|
2019-11-11 17:11:22 -05:00 |
|
|
|
5289417e9c
|
Merge pull request #1739 from evoyiatzis/shape_chunk
Computing the eigenvalues of the gyration tensor and shape parameters…
|
2019-11-11 17:10:52 -05:00 |
|
|
|
06fdaa04b3
|
Merge pull request #2 from rbberger/shape_chunk
Fix documentation
|
2019-11-11 21:46:44 +01:00 |
|
|
|
0018a88f45
|
Only keep RST version of compute_gyration_shape_chunk
|
2019-11-11 15:32:48 -05:00 |
|
|
|
22a033f5d4
|
Move compute_gyration_shape_chunk.txt into txt/ folder
|
2019-11-11 15:32:09 -05:00 |
|
|
|
16f67ee56a
|
Add new words to false-positives.txt
|
2019-11-11 15:26:48 -05:00 |
|
|
|
9e2129b676
|
Merge pull request #1767 from LucienPan0903/p_class2
Patch of class2 dihedral
|
2019-11-11 10:44:37 -05:00 |
|
|
|
02791e0b4d
|
Add Install_conda doc
|
2019-11-10 17:49:15 -06:00 |
|
|
|
93b03aa82c
|
Merge pull request #1 from akohlmey/shape_chunk
Documentation update
|
2019-11-10 21:35:30 +01:00 |
|
|
|
599a189545
|
Patch of class2 dihedral
|
2019-11-08 17:28:49 -05:00 |
|
|
|
59b5ef8fb0
|
Patch of Dihedral class2
|
2019-11-08 17:17:01 -05:00 |
|
|
|
cb30ab7556
|
Merge branch 'p_class2' of github.com:LucienPan0903/lammps into p_class2
|
2019-11-08 16:28:49 -05:00 |
|
|
|
4baa665a80
|
Patch of class2 dihedral
Fix the NAN problem when any two bonds are nearly parallel
|
2019-11-08 16:26:54 -05:00 |
|
|
|
e5933ecc4a
|
Fix previous submission of nan problem
|
2019-11-08 16:22:57 -05:00 |
|
|
|
29b2dc7043
|
Patch of class2 dihedral
Fix the nan problem when any two bonds are nearly parallel
|
2019-11-08 16:11:34 -05:00 |
|
|
|
b9648884bb
|
Add rst versions of new documentation
|
2019-11-08 15:28:12 -05:00 |
|
|
|
07a34382ae
|
Magic
Merge branch 'master' into shape_chunk
|
2019-11-08 15:25:47 -05:00 |
|
|
|
90729ebe25
|
Merge pull request #1764 from jwood13/stable
Add a max and min option to fix_gcmc
|
2019-11-08 15:01:51 -05:00 |
|
|
|
6623169d97
|
Delete example file on request of @athomps
|
2019-11-08 15:00:26 -05:00 |
|
|
|
95a6498569
|
Merge pull request #1766 from lammps/compute-hma-doc
Link compute hma docs
|
2019-11-08 14:51:32 -05:00 |
|
|
|
8778ec9dde
|
Merge pull request #1763 from lammps/fix-pour-doc
add documention to FixPour::outside(), simplify logic a bit
|
2019-11-08 12:09:19 -05:00 |
|
|
|
0583fb6ae0
|
update rst file also
|
2019-11-08 09:46:49 -07:00 |
|
|
|
82ecce8a1a
|
Merge branch 'master' into compute-hma-doc
|
2019-11-08 09:40:40 -07:00 |
|
|
|
cbca94e4bf
|
Merge pull request #1765 from rbberger/doc_fixes
Doc Fixes
|
2019-11-08 11:27:33 -05:00 |
|
|
|
02a1ef0630
|
add compute hma to list of computes
|
2019-11-08 09:25:08 -07:00 |
|
|
|
81e92de838
|
Fix doc Makefile
|
2019-11-07 21:47:29 -05:00 |
|
|
|
83f0eb0058
|
Remove unnecessary files
|
2019-11-07 21:47:02 -05:00 |
|
|
|
ce6893e717
|
Add max/min changes to documentation
again
|
2019-11-08 12:59:39 +11:00 |
|
|
|
e926c16544
|
Merge remote-tracking branch 'upstream/master' into stable
|
2019-11-08 12:58:23 +11:00 |
|
|
|
c5b0f0afcf
|
add documention to FixPour::outside(), simplify logic a bit
|
2019-11-07 17:06:38 -07:00 |
|
|
|
d37ee59296
|
Add example of fix gcmc max behaviour
|
2019-11-08 10:53:53 +11:00 |
|
|
|
a2eec80f25
|
add max and min to documentation
|
2019-11-08 10:53:53 +11:00 |
|
|
|
e5dd154366
|
Make max/min prevent moves already outside the bounds
Previously allowed free movement outside the bounds until they were reached.
Now forces movement towards the bounds
|
2019-11-08 10:53:53 +11:00 |
|
|
|
6d7a591dce
|
Merge pull request #1762 from rbberger/doc_lammps_lexer
Add LAMMPSLexer for LAMMPS code-blocks in docs
|
2019-11-07 16:25:01 -05:00 |
|
|
|
d2da55f5e3
|
Update Howto_pylammps.rst and remove Howto_pylammps.txt
|
2019-11-06 23:52:04 -05:00 |
|
|
|
3f10c4fcdc
|
Update Manual_build.rst and remove Manual_build.txt
|
2019-11-06 23:33:14 -05:00 |
|
|
|
eaef8089a1
|
Add LAMMPSLexer for LAMMPS code-blocks in docs
|
2019-11-06 17:40:39 -05:00 |
|
|
|
f80c527b17
|
Commit JT 100619
- modified precession and Langevin/spin
|
2019-11-06 14:15:25 -07:00 |
|
|
|
bb18adc745
|
Merge pull request #1761 from rbberger/doc_updates
Update documentation tools and paths
|
2019-11-06 12:24:03 -05:00 |
|
|
|
9ac9ba6401
|
Merge branch 'master' into doc_updates
|
2019-11-06 11:35:35 -05:00 |
|
|
|
cf0eac62fa
|
Merge pull request #1745 from yafshar/feature_parameterupdate
New KIM package feature: kim_param command for querying model parameters.
|
2019-11-06 09:17:07 -05:00 |
|
