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46984f69ee
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Added the potential comparison with LJ
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2021-01-27 21:39:52 -05:00 |
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0f31cfc554
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corrected the documentation
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2021-01-27 21:21:23 -05:00 |
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4925243d7e
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corrected mistake with the link
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2021-01-28 00:36:42 +00:00 |
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6ba9ebe9b8
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added the pair to pairs style doc
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2021-01-28 00:36:42 +00:00 |
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d295ab9296
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Added the pair documentation
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2021-01-28 00:36:42 +00:00 |
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1f6539934c
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added the pair to the commands
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2021-01-28 00:36:42 +00:00 |
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e67977377b
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Added the documentation
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2021-01-28 00:36:42 +00:00 |
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bca3164fc4
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fix whitespace issues
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2021-01-26 18:39:02 -05:00 |
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80bac27184
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extra files that were not checked in
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2021-01-26 11:02:27 -07:00 |
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78b46e819b
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added Developer doc info for this refactoring
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2021-01-26 10:54:02 -07:00 |
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eb9e28e665
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fix some typos
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2021-01-26 09:30:28 -07:00 |
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fc0936c778
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doc pages for virial contributions of fixes
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2021-01-26 09:26:31 -07:00 |
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6147b9c2ef
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doc page updates for energy contributions of thermostat and non-thermostat fixes
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2021-01-26 08:51:47 -07:00 |
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afc58659db
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add not input parsing section about handling of UFT-8 characters
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2021-01-25 21:44:02 -05:00 |
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1f6cc25176
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Fix link
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2021-01-25 14:04:26 -07:00 |
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0f2d0c539d
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Update Kokkos arch list
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2021-01-25 13:52:35 -07:00 |
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f83b796c83
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Add note on C++14 requirement in Docs
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2021-01-25 13:44:07 -07:00 |
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72168d6780
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add utility functions to detect UTF-8 characters and substitute with ASCII equivalents
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2021-01-25 01:41:38 -05:00 |
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893a5018de
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fep yet more doc
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2021-01-22 22:23:47 +01:00 |
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4244198b10
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fep update doc
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2021-01-22 22:15:44 +01:00 |
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7b87f45d1a
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Merge pull request #2554 from akohlmey/accelerator-introspection
Add accelerator introspection functionality
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2021-01-18 11:59:00 -05:00 |
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7c3cd30ef7
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replace non-ASCII character with ASCII equivalent
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2021-01-16 01:22:38 -05:00 |
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efda7559c0
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Merge branch 'master' into accelerator-introspection
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2021-01-16 00:15:07 -05:00 |
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5e6411ea5a
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Merge pull request #2514 from oywg11/tersoff-shift
Add a shift option to most Tersoff potential variants
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2021-01-15 13:59:56 -05:00 |
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6d1babfe89
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correct reference for eam/he publication
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2021-01-15 11:59:21 -05:00 |
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d501fd7e29
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simplify description of the HE EAM file format
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2021-01-15 11:43:46 -05:00 |
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ff1a7080a8
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whitespace
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2021-01-14 14:34:00 -05:00 |
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a3d21297bc
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complete integration of eam/he pair style into manual
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2021-01-13 22:37:29 -05:00 |
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59ef2e17ea
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add eam/he pair style to distribution
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2021-01-13 22:24:44 -05:00 |
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2c92737cd5
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Resolve merge conflicts
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2021-01-13 09:42:57 -07:00 |
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a25c77e512
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Misc comments, typos, and cleanups
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2021-01-12 23:04:14 -07:00 |
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0ae5d963ce
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update formulations in docs to incorporate suggestions by @sjplimp
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2021-01-12 20:44:43 -05:00 |
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702de49f59
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add documentation for added keyword and library interface functions
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2021-01-12 20:11:38 -05:00 |
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386fe6158a
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edits to doc pages, including per-atom variables
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2021-01-12 09:07:23 -07:00 |
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0b14770468
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merge with current master
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2021-01-11 16:13:33 -07:00 |
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cbca189490
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Merge branch 'master' into tersoff-shift
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2021-01-11 04:30:11 -05:00 |
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9ce477dd3f
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Merge branch 'master' into citation-refactor
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2021-01-08 18:32:30 -05:00 |
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6428e542db
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document updated citation reminder
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2021-01-08 18:29:15 -05:00 |
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d5f34f6296
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Examples and documentation
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2021-01-08 15:27:23 -07:00 |
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ae3bcff4b6
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Merge branch 'master' into collected-small-changes
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2021-01-05 15:24:00 -05:00 |
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d6ff307390
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Merge pull request #2532 from stanmoore1/kk_pair_fix_comm
Add more granular control of Kokkos pair and fix comm
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2021-01-05 15:20:50 -05:00 |
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973c230185
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Update chunksize
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2021-01-05 08:29:47 -07:00 |
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612d49d69d
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update docs a bit more
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2021-01-04 23:02:17 -05:00 |
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47b4504917
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Merge branch 'master' into tersoff-shift
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2021-01-04 22:19:59 -05:00 |
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dd69e26cb5
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Added clarification of threebody typing of R
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2021-01-02 19:51:23 -07:00 |
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15a599102d
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Updated doc pages
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2021-01-02 17:02:38 -07:00 |
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eef28b58ab
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remove extra word
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2020-12-30 08:55:32 -05:00 |
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bc0b963f98
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remove extra empty line
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2020-12-29 20:25:42 -05:00 |
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086ac30267
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whitespace
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2020-12-29 10:21:14 -05:00 |
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427d037747
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Merge pull request #2508 from athomps/mliappy3
Add support for Python based models to the MLIAP package
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2020-12-29 09:59:43 -05:00 |
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