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f73e21f2ca
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Update false_positives.txt
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2020-03-10 16:05:25 +01:00 |
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b477d8920b
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Update pair_coul_slater.rst
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2020-03-10 15:42:32 +01:00 |
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8332afd2b2
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one more spelling error
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2020-03-10 15:27:51 +01:00 |
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866899da21
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correct spelling error in equation
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2020-03-10 15:18:04 +01:00 |
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35a63e21a0
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Update pair_coul_slater.rst
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2020-03-10 14:34:40 +01:00 |
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4f917fff43
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increase the Title underline
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2020-03-10 11:51:17 +01:00 |
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7959e3ff81
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Move rst file to the correct location
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2020-03-10 11:26:52 +01:00 |
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6fb84eba32
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Update false_positives.txt
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2020-03-10 10:47:54 +01:00 |
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3092ee89d3
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Update Commands_pair.rst
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2020-03-10 09:55:04 +01:00 |
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b77837e3b0
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documentation file for the coul/slater styles
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2020-03-07 12:40:39 +01:00 |
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d89db2ac2a
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files generated by the in.slater example script
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2020-02-27 16:03:07 +01:00 |
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7849de15b0
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Create in.slater
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2020-02-27 16:01:38 +01:00 |
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de9691a751
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Update README
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2020-02-26 14:06:38 +01:00 |
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04e48999b2
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Delete pair_coul_slater_cut.h
move this file to USER-MISC
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2020-02-26 14:04:12 +01:00 |
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895f7aa46d
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Delete pair_coul_slater_cut.cpp
move this file to USER-MISC
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2020-02-26 14:03:43 +01:00 |
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5be0f1525a
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source files for pair coul/slater
Source files for long- and short-range coulombic interactions which are smeared with an exponential function (slater-type of smearing)
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2020-02-26 14:02:53 +01:00 |
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213bd9de3e
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Merge pull request #1 from evoyiatzis/evoyiatzis-slater
smeared charges for DPD
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2020-02-15 17:47:45 +01:00 |
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60305df69d
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source code for slater-type electrostatics
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2020-02-15 17:40:12 +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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