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4f9e7cbd16
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Cleaned up docs for pair_mores, a missing :pre ruined formatting.
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2017-05-24 13:36:14 -04:00 |
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97d3c843c4
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small documentation fixes to fix typos and formatting issues
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2017-05-21 11:13:47 -04:00 |
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aca16745e4
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restore spelling fix and semantic fix from upstream
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2017-05-19 12:17:19 -04:00 |
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a5110d81ea
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correct a bunch of documentation formatting issues for updated neb and fix neb commands
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2017-05-19 12:13:23 -04:00 |
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2225fce94e
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patch 19May17
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2017-05-19 07:35:36 -06:00 |
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8751850eca
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a few formatting fixes for pair style python
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2017-05-18 18:34:03 -04:00 |
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d4ee03c778
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changed doc links
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2017-05-18 21:31:39 +02:00 |
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b28ecd44c2
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update docs before patch release
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2017-05-18 13:14:47 -06:00 |
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6ac9b7a1b0
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Merge pull request #482 from akohlmey/add-pair-python
Add python pair style for implementing simple pairwise additive potentials in python
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2017-05-18 11:15:58 -06:00 |
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5d38cbbce9
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Merge pull request #487 from akohlmey/pair_edip_multi_element
Import multi-element compatible pair style edip as edip/multi
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2017-05-18 09:13:30 -06:00 |
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aa09f45b7e
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Merge pull request #484 from akohlmey/add-gao-weber-styles
Add Gao-Weber manybody styles
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2017-05-18 09:10:03 -06:00 |
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683f3d9d2a
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Merge pull request #481 from akohlmey/collected-small-changes
Collected small updates and bugfixes
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2017-05-18 09:01:04 -06:00 |
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8daba01151
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some small formating change but does not work anymore
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2017-05-18 16:48:20 +02:00 |
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640edbc1d4
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added several features to the NEB
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2017-05-18 11:08:08 +02:00 |
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24654ad28f
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small formatting corrections to pair python style
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2017-05-18 00:38:36 -04:00 |
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9725708b90
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update pair style python docs
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2017-05-18 00:29:02 -04:00 |
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1d48f287f0
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add partial documentation for pair style python
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2017-05-17 19:05:18 -04:00 |
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278b9f7fba
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move pair gw and gw/zbl to USER-MISC package
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2017-05-17 14:59:46 -04:00 |
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085f3afdfb
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fix typo in docs
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2017-05-17 09:59:30 -04:00 |
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597f95fb1b
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fix duplicate reference
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2017-05-16 17:53:12 -04:00 |
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7f9a331c73
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bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
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2017-05-16 15:51:41 -06:00 |
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35e92733e9
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import multi-element compatible pair style edip as edip/multi
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2017-05-16 17:40:59 -04:00 |
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66084ad1f4
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fix typo in rerun docs. closes #486
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2017-05-16 04:27:15 -04:00 |
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c5db3ff401
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two small doc corrections from Andrew Jewett for pair style gauss and dihedral style spherical
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2017-05-12 23:27:58 -04:00 |
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b6a70ec6fd
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fixup docs after last change
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2017-05-12 00:34:47 -04:00 |
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c4d0f07093
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Allow fix python to only execute every N steps
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2017-05-12 00:29:58 -04:00 |
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93f6033061
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Add documentation about fix python
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2017-05-11 23:50:40 -04:00 |
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27a6371f9b
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implement a python source command as suggested in issue #454
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2017-05-11 19:18:09 -04:00 |
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998eb44e83
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Merge pull request #473 from akohlmey/compress-for-reaxc-fixes
compressed output via gzip for some ReaxFF fixes
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2017-05-11 09:25:18 -06:00 |
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96d1de8575
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Merge pull request #471 from akohlmey/fix-4may2017-issues
Fix a bunch of remaining issues in the 4 may 2017 release
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2017-05-11 09:24:35 -06:00 |
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deff6ffaac
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Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent
Meam spline multicomponent
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2017-05-11 09:22:25 -06:00 |
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abeb1e096a
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add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species
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2017-05-10 11:19:18 -04:00 |
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29ae8d4ca3
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correct broken links and references in documentation
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2017-05-09 17:15:07 -04:00 |
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08ec55743e
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neighbor list bugfix to prevent cycle in copy lists
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2017-05-09 08:55:18 -06:00 |
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f8af7edf92
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Merge remote-tracking branch 'upstream/master' into python_refactoring
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2017-05-06 16:00:22 -04:00 |
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51c6d50268
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patch 4May17
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2017-05-04 11:46:58 -06:00 |
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dcc5472cba
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Merge pull request #452 from akohlmey/small-fixes-and-updates
Small fixes and updates
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2017-05-04 11:23:23 -06:00 |
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addd87c0f7
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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7f49ee8fd7
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print warning about minimization energy with fix box/relax
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2017-05-03 15:33:22 -04:00 |
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8bddf105bf
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Updated version of equations, documentation.
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2017-04-28 20:22:22 -05:00 |
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31446e35b9
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Cleanup on equations; JPG to be constructed.
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2017-04-28 15:31:49 -05:00 |
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9bdc43bb66
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Updates to pair/meam/spline documentation.
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2017-04-28 15:15:21 -05:00 |
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a0b61d17b5
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Updates to documentation: equation.
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2017-04-28 15:08:59 -05:00 |
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af74874516
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rename references to USER-CG-CMM to USER-CGSDK
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2017-04-26 19:27:13 -04:00 |
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8f9cb3590a
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correct units for some improper force constants in docs
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2017-04-26 15:34:12 -04:00 |
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ddc1e4e86e
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detect and refuse to run pair style srp together with fix rigid
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2017-04-25 13:27:20 -04:00 |
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396e0b5423
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correct broken link in html bond doc overview
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2017-04-21 14:02:17 -04:00 |
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4e411364ff
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add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay
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2017-04-21 14:01:38 -04:00 |
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dfa9815246
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update for fix gle docs from michele ceriotti
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2017-04-18 17:07:28 -04:00 |
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481927ff16
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correct 'thrid' instead of 'third'
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2017-04-17 17:49:49 -04:00 |
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