f803ba5655
Add shfl_xor sum to kernel for ARCH>=300
2019-11-12 21:35:36 +03:00
64bdc59623
Implement GPU pair style lj/cut/tip4p/long/gpu
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Source code, Makefiles and Install for GPU-accelerated TIP4P pair style.
It is implemented as a part of the standard GPU package.
The style is compatible with the standard lj/cut/tip4p/long.
Also, this commit modifies "atom.h" just to
add a getter for variable 'max_same'.
2019-11-10 02:38:58 +03:00
90729ebe25
Merge pull request #1764 from jwood13/stable
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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
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Link compute hma docs
2019-11-08 14:51:32 -05:00
8778ec9dde
Merge pull request #1763 from lammps/fix-pour-doc
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Change documentation to use RST directly
2019-11-04 12:15:22 -05:00
1074884f74
Commit JT 110419
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- 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
aeaa289d1d
Merge branch 'master' into docs_to_rst_migration
2019-11-02 22:57:43 -04:00
9159a43d5d
Merge pull request #1737 from akohlmey/next_patch_release
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Step version string for next patch release
2019-10-30 17:47:10 -04:00
