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d7a7c103ca
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Update version string for next patch release
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2020-02-14 09:55:56 +01:00 |
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5d467bcc74
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Merge pull request #1876 from Vsevak/tip4p_gpu_sharedtypes
TIP4P GPU kernel: shared memory optimization
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2020-02-12 11:11:17 -05:00 |
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10a76affd4
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Merge pull request #1877 from ellio167/openkim-models-docs
Add openkim-models install instructions
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2020-02-12 11:08:25 -05:00 |
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cf67c16fcb
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Add openkim-models install instructions
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2020-02-11 22:33:56 -06:00 |
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d024b3d340
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Add shared memory optimization
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2020-02-12 01:35:44 +03:00 |
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f0935feabe
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Merge pull request #1868 from akohlmey/next_patch_version
Step version strings for next patch release
patch_4Feb2020
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2020-02-03 11:50:12 -05:00 |
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966bc626fc
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Merge pull request #1858 from akohlmey/fft-consistency
Improved consistency and thread support in FFTs
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2020-02-03 11:14:16 -05:00 |
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f95428ee5e
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Merge pull request #1867 from akohlmey/doc-convert-to-mathjax
Convert more documentation to use embedded math expressions
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2020-02-03 11:11:33 -05:00 |
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b71e41dc8a
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minor fixes
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2020-02-03 10:48:04 -05:00 |
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1827ce1d32
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update dynamical_matrix docs
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2020-02-03 09:01:31 -05:00 |
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73364404a1
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Step version strings for next patch release
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2020-02-03 07:18:31 -05:00 |
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ecf30b47a0
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Convert and revise a few more files (minimize, neb, tricilinic)
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2020-02-02 22:35:39 -05:00 |
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fde2a59b0e
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update documentation for contributing files and building the manual to using rst files
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2020-02-02 19:05:35 -05:00 |
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5b557ca4c8
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remove references to .txt files for building the documentation
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2020-02-02 18:50:49 -05:00 |
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8ef3d77724
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Convert documentation of improper styles from images to mathjax
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2020-02-02 18:22:40 -05:00 |
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949f88eb65
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Convert documentation of dihedral styles from images to mathjax
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2020-02-02 17:22:54 -05:00 |
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bbf229e8cc
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Merge pull request #1866 from YunxingZuo/master
add SNAP and quadratic SNAP potentials for six elemental systems
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2020-02-02 06:55:09 -05:00 |
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0a10f5567a
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correct potential file format to be compatible with latest lammps
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2020-01-31 21:04:03 -08:00 |
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01a6608fb6
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add SNAP and quadratic SNAP potentials for six elemental systems
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2020-01-31 19:30:02 -08:00 |
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2b6a022309
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Merge branch 'master' into fft-consistency
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2020-01-31 20:51:58 -05:00 |
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dd91d519e1
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Merge pull request #1703 from jboschen/nwchem
add NWChem wrapper to client/server mode for AIMD
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2020-01-31 20:50:51 -05:00 |
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5983c2a87d
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Merge pull request #1864 from akohlmey/doc-remove-redundant-links
More documentation ReStructuredText cleanup
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2020-01-31 17:32:51 -05:00 |
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472fe8216f
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address spelling errors
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2020-01-31 16:54:27 -05:00 |
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b66717d8cb
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add one more missing link
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2020-01-31 16:40:41 -05:00 |
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a9a2a9fef9
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provide updated information on how to report bugs on github or via e-mail
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2020-01-31 16:39:34 -05:00 |
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f386598c54
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restore missing links
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2020-01-31 16:39:09 -05:00 |
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1a4e6228a2
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add false positive
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2020-01-31 15:59:26 -05:00 |
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21a80e9b50
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fix typo
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2020-01-31 15:57:52 -05:00 |
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8fd2ab78f1
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Merge branch 'master' into nwchem
# Conflicts:
# doc/src/Howto_client_server.rst
# doc/src/server_md.txt
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2020-01-31 15:56:25 -05:00 |
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97addd2bee
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Merge branch 'master' into doc-remove-redundant-links
# Conflicts:
# doc/src/min_modify.rst
# doc/src/min_style.rst
# doc/src/minimize.rst
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2020-01-31 15:39:25 -05:00 |
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947827fe1f
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Merge pull request #1052 from jguenole/adaptglok
Optimized implementation of FIRE
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2020-01-31 15:24:00 -05:00 |
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0f37e641eb
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restore one global definition of previously removed links, that are still in use
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2020-01-31 14:09:12 -05:00 |
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3169ef772b
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delete superfluous horizontal line plus preceding empty lines at the end of doc files
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2020-01-31 14:06:14 -05:00 |
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cdf2f66c0a
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delete empty lines at the end of files
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2020-01-31 14:03:52 -05:00 |
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ce10fd01a8
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remove redundant/obsolete link definitions
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2020-01-31 14:00:53 -05:00 |
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b524db88a3
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Merge remote-tracking branch 'github/master' into adaptglok
# Conflicts:
# doc/src/min_modify.rst
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2020-01-31 12:24:59 -05:00 |
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56ff70de70
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Merge pull request #1860 from akohlmey/collected-small-changes
Collected small changes for next patch release
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2020-01-31 12:21:17 -05:00 |
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39188da85b
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Merge pull request #1857 from ohenrich/user-cgdna
USER-CGDNA: Increased tolerance for fatal error in FENE bond
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2020-01-31 12:20:57 -05:00 |
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710929da1d
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Merge pull request #1861 from akohlmey/doc-link-escape-removal
Documentation link formatting cleanup and fixup
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2020-01-31 11:00:27 -05:00 |
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6424883daf
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apply revisions suggested by @sjplimp
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2020-01-31 10:52:31 -05:00 |
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82aab36898
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reset array size since we don't use the last element anymore
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2020-01-31 09:59:35 -05:00 |
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2069c7a5fd
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correct incorrect bugfix
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2020-01-31 09:58:04 -05:00 |
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31c4833707
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correct out-of-bounds array access in RanMars::select_subset()
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2020-01-31 09:51:23 -05:00 |
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ed628a2de7
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remove some more unneeded backslash escapes and fix up a few more doc links
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2020-01-31 09:01:26 -05:00 |
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82286702cb
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switch OpenMP pragma to default(shared), so it is compatible with all OpenMP standard versions
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2020-01-31 08:32:14 -05:00 |
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bc3807aa4b
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Fix sign of forces in AO mode, update h2o examples
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2020-01-31 00:42:00 -06:00 |
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e4cf0a07a0
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remove more \_ escapes from doc anchors and a bunch of other issues found in the process
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2020-01-31 00:45:13 -05:00 |
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bb94303e73
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remove backslash escapes from link anchors
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2020-01-30 17:04:09 -05:00 |
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c732ccc0f8
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remove trailing whitespace
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2020-01-30 17:02:06 -05:00 |
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f872d374a0
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Merge branch 'adaptglok' of github.com:jguenole/lammps into adaptglok
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2020-01-30 17:00:10 -05:00 |
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