Commit Graph

18701 Commits

Author SHA1 Message Date
22a033f5d4 Move compute_gyration_shape_chunk.txt into txt/ folder 2019-11-11 15:32:09 -05:00
93b03aa82c Merge pull request #1 from akohlmey/shape_chunk
Documentation update
2019-11-10 21:35:30 +01:00
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
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
e64f68e73c Merge pull request #1 from akohlmey/kim_update_rst_fixes
Documentation update for your LAMMPS pull request
2019-11-06 07:55:42 -06:00
2fd9a27902 update kim_commands.rst from .txt file 2019-11-06 08:33:05 -05:00
729eabd771 make QUIP_LIBRARY setting consistent and backport change to .rst file only 2019-11-06 08:32:07 -05:00
efcf919ede Merge branch 'master' into feature_parameterupdate 2019-11-06 08:21:33 -05:00
2bbf52073f Merge pull request #1759 from akohlmey/hybrid-exclusion-bugfix
Consistent exclusion settings with multiple kspace-like sub-styles in pair hybrid
2019-11-06 06:24:35 -05:00
ee4e6352c4 Merge pull request #1755 from akohlmey/whitespace-cleanup
Whitespace cleanup
2019-11-06 06:23:16 -05:00
c3e52c3c8c Use globs for style lists 2019-11-05 15:49:09 -05:00
c756e472ae Remove Manual.txt and use variable for version 2019-11-05 15:34:57 -05:00
5e6694f3bc Re-enabled conversion of equations arrays. Disabled works even worse 2019-11-05 15:27:21 -05:00
423a3bb99f Add initial version of updated tools from #1533 2019-11-05 15:27:21 -05:00
74dade3ccb Change doc folder src -> txt, rst -> src 2019-11-05 15:27:21 -05:00
fe91d462db Merge pull request #1758 from marian-code/patch-1
wrong cmake option for QUIP
2019-11-05 12:11:17 -05:00
ae4764e614 address pair match issue with multiple hybrid substyles in exclusion settings 2019-11-05 11:03:25 -05:00
7ec1dccbe0 wrong cmake option for QUIP
QUIP cmake option for specifying library path should be QUIP_LIBRARY not QUIP_LIBRARIES
2019-11-05 14:57:44 +01:00
7bef07e9f7 Merge branch 'master' into HEAD 2019-11-04 16:52:02 -05:00
cf251eb8be Merge pull request #1756 from julient31/correct-minimizer
Correct warning issue in min_cg.cpp
2019-11-04 15:37:32 -05:00
e20439374e Merge pull request #1643 from rbberger/docs_to_rst_migration
Change documentation to use RST directly
2019-11-04 12:15:22 -05:00
1074884f74 Commit JT 110419
- removed fmax uninitialized variable from min_cg.cpp
- removed tabs from comments
- initialized fdotf variables
2019-11-04 09:04:43 -07:00
b6b022b610 whitespace cleanup: remove trailing blanks 2019-11-03 11:03:39 -05:00
9e7ca428aa whitespace cleanup: remove (evil) tabs 2019-11-03 11:01:42 -05:00
12cb19090a Remove txt2html and htmldoc from doc build 2019-11-02 23:07:49 -04:00
8f946b765e Add missing RST files 2019-11-02 23:03:36 -04:00
eac5f6e53e Update RST files 2019-11-02 23:01:18 -04:00