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03e7edd38f
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Merge pull request #2565 from prs513rosewood/explicit_netcdf_error
Explicit netcdf dumper error message when trying to append to non-existant file
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2021-01-29 15:00:01 -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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9a9e7759e4
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Merge pull request #1 from akohlmey/adding_new_pair
Additional changes for LAMMPS pull request #2435
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2021-01-29 11:24:59 -05:00 |
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21eab7affa
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Merge pull request #2566 from hocky-research-group/fix-python-bug
Fixed bug in get_thermo_data in parsing log files with multiple run() commands
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2021-01-29 10:13:49 -05:00 |
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8d2652fa7a
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Merge pull request #2540 from stanmoore1/kk_update_3.3.0
Update Kokkos library in LAMMPS to v3.3.1
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2021-01-29 09:11:27 -05:00 |
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083c098171
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fix spelling ( https://en.wiktionary.org/wiki/existant )
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2021-01-29 09:09:36 -05:00 |
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9f8857cd47
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Merge pull request #2567 from stanmoore1/auto_sync
Fix sync/modify issue in Kokkos atom_vec
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2021-01-29 08:33:29 -05:00 |
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b2d5c32cba
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Fix sync/modify issue in Kokkos atom_vec
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2021-01-28 14:56:51 -07:00 |
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51ac5e34ee
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make name of include guard consistent with file name
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2021-01-28 04:12:39 -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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8260fbd344
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add unit test for wf/cut pair style
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2021-01-28 03:48:39 -05:00 |
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cd6ebec652
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fix incorrect data type (double vs int) in restart and data file handling
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2021-01-28 03:46:46 -05:00 |
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ef351bc9a6
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simplify using the powint() function by importing the MathSpecial namespace
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2021-01-28 03:46:09 -05:00 |
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dac0a685e1
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remove dead code
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2021-01-28 03:45:15 -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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cafabbd550
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Merge branch 'adding_new_pair' of github.com:sramirezh/lammps-Developing into adding_new_pair
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2021-01-28 03:09:45 +00:00 |
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191a91caa2
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imported math_special
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2021-01-28 03:08:53 +00:00 |
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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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458120bdd5
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Merge branch 'adding_new_pair' of github.com:sramirezh/lammps-Developing into adding_new_pair
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2021-01-28 02:23:37 +00:00 |
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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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10af9fbb7d
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Merge branch 'adding_new_pair' of github.com:sramirezh/lammps-Developing into adding_new_pair
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2021-01-28 01:58:57 +00:00 |
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3ed1aa3a72
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replaced pow by powint
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2021-01-27 20:57:46 -05:00 |
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9ceef78bec
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included inumeric instead of numeric
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2021-01-28 01:35:15 +00:00 |
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21cd69b5d7
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Changed the header
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2021-01-28 01:31:36 +00:00 |
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6e43ccf32b
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Fixed bug in get_thermo_data where columns is set to None instead of an empty list
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2021-01-27 19:41:24 -05:00 |
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0df55bb3b6
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Merge branch 'adding_new_pair' of github.com:sramirezh/lammps-Developing into adding_new_pair
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2021-01-28 00:40:12 +00:00 |
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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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c6b8b9e8fe
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moved the potential to user-misc
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2021-01-28 00:36:42 +00:00 |
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11841bf638
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created the pair style files
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2021-01-28 00:36:42 +00:00 |
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ddcde9c2a5
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Updated the user-misc readme
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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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09f6d1fa57
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added the pair files
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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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d1be5d49ca
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Merge branch 'master' into thermo-energy
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2021-01-26 18:37:05 -05:00 |
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2b290d5e42
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recover from compilation failures
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2021-01-26 18:31:23 -05:00 |
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4f8b81385b
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fixing grammar of error message
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2021-01-26 13:57:39 -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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f3d974e5a3
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Explicit error message when trying to append to non-existant file
Previous behavior would print "at keyword requires use of 'append yes'" when
trying to append to non-existant file.
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2021-01-26 11:21:57 -05:00 |
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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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89216ce1ed
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add UTF-8 handling to ValueTokenizer class
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2021-01-25 23:26:54 -05:00 |
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05f08c0799
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avoid false positives in has_utf8() check
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2021-01-25 21:44:38 -05:00 |
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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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a119164496
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add utf-8 check, substitution, and warning to Input::parse() function
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2021-01-25 20:53:59 -05:00 |
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