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ffa46ad951
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preempt some read/write data file bugs
currently, require all type labels (for all interactions) to be defined, if any are, when reading data files
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2021-01-31 20:44:19 -05:00 |
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4f219a94aa
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nolabel for write_data
also bug fixes
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2021-01-31 16:37:09 -05:00 |
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f0e4f90608
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reformat paragraph
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2021-01-31 13:06:10 -05:00 |
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2ee6e8f582
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more docs
also, relax I <= J requirement for pair_coeff, as 'required' by type labels
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2021-01-30 21:22:49 -05:00 |
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aeaaeed703
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clarify and fix typo
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2021-01-30 06:08:35 -05:00 |
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3ce92db405
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correct path to CMake preset folder in example command
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2021-01-30 06:08:17 -05:00 |
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e3a6afe1ab
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labelmap map/assign docs
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2021-01-29 23:38:25 -05:00 |
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908562588e
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maybe the last one
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2021-01-29 17:17:51 -06:00 |
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ec82a4602d
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should be all ready
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2021-01-29 17:08:24 -06:00 |
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222d842b45
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Merge pull request #2435 from sramirezh/adding_new_pair
Adding new Wang-Frenkel potential pair style
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2021-01-29 16:22:39 -05:00 |
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759ac0ddd9
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Merge pull request #2564 from akohlmey/detect-utf8-multibytes
Detect UTF-8 multibyte characters input and replace with ASCII equivalents where known
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2021-01-29 13:02:34 -05:00 |
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add904ea4e
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labelmap doc update, for reference
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2021-01-28 10:53:44 -05:00 |
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740ae28e3d
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address spelling issues
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2021-01-28 03:59:30 -05:00 |
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9c630d9906
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scale down image
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2021-01-28 03:59:19 -05:00 |
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e3cc058c74
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reformat to have shorter lines
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2021-01-28 03:43:56 -05:00 |
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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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532242f5e1
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begin docs
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2021-01-19 23:55:32 -05:00 |
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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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