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a73f1d4f03
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Merge pull request #2200 from akohlmey/next_lammps_version
Update version strings for next patch release
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2020-06-29 14:24:02 -04:00 |
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5585e3187f
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step version strings for next patch release
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2020-06-28 19:30:24 -04:00 |
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435ac9078b
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add unit conversion to pair styles eim, gw, gw/zbl, and nb3b/harmonic
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2020-06-28 16:49:23 -04:00 |
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66271448ae
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Merge pull request #2167 from Vsevak/master
Update GPU CMake and Makefile scripts for ROCm v3.5
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2020-06-26 13:43:32 -04:00 |
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d926274911
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Merge branch 'qtb_example' of github.com:stanmoore1/lammps into pair-potential-file-unit-convert
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2020-06-25 17:06:38 -04:00 |
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d9f07cef25
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document automatic unit conversion with units and pair_coeff commands
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2020-06-25 16:05:20 -04:00 |
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3bb3037b55
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fix typo
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2020-06-25 07:59:40 -04:00 |
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85097df2ba
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add unit conversion to pair style tersoff/mod and tersoff/mod/c
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2020-06-24 21:23:40 -04:00 |
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db4cb2cb4f
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Merge pull request #2097 from jibril-b-coulibaly/patch-1
Correct ghost atoms bug in fix adapt
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2020-06-24 20:31:58 -04:00 |
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a7d2b792a8
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Merge branch 'master' into test-updates
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2020-06-24 17:25:55 -04:00 |
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3525d1f104
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simplify suppression handling by creating a custom local file
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2020-06-24 13:35:36 -04:00 |
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57538fb91c
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add leak sanitizer option
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2020-06-24 13:34:47 -04:00 |
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f1532e6545
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fix a couple more spelling errors
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2020-06-24 10:12:54 -04:00 |
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63eab6e6d8
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Merge branch 'master' into patch-1
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2020-06-24 10:09:05 -04:00 |
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f719803e9a
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correct typos in fix_adapt documentation
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2020-06-23 16:17:59 -05:00 |
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47ebd8a3d9
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implement mass keyword to turn off/on change in rmass when diameter is changed
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2020-06-23 12:48:57 -05:00 |
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fc090c22f4
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fix typo
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2020-06-22 22:24:06 -04:00 |
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132afb32f4
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add note about dependency on SNAP in the MLIAP overview page
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2020-06-22 19:46:44 -04:00 |
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6e714fec42
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fix underline
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2020-06-22 13:40:30 -04:00 |
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1f3c3bfb3c
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snap is listed twice
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2020-06-22 13:30:54 -04:00 |
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8eb6c2e037
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Merge branch 'mliap' of github.com:athomps/lammps into mliap
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2020-06-22 11:40:22 -04:00 |
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743a14aea0
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Fixed incomplete documentation entries for mliap
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2020-06-22 09:35:16 -06:00 |
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233b56105a
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Merge branch 'master' into mliap
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2020-06-22 11:24:49 -04:00 |
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bbd9af0d6f
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Fixed a few minor problems
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2020-06-22 09:11:38 -06:00 |
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10ace11c0b
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Fixed spelling and false positives
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2020-06-21 21:10:03 -06:00 |
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9238c2a624
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Finished first version of MLIAP package
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2020-06-21 19:57:08 -06:00 |
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7bb4a2a81a
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Fix a typo in the GPU Docs
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2020-06-21 19:37:59 +03:00 |
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f5a31fefdc
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Merge pull request #2171 from athomps/orientorder-components-parity
Switched the sign of spherical harmonics for m odd
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2020-06-19 18:46:15 -04:00 |
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5148834d23
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Merge pull request #2162 from akohlmey/collected-small-changes
Collected small changes
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2020-06-19 17:07:07 -04:00 |
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b218fc44da
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Merge branch 'master' of https://github.com/lammps/lammps into orientorder-components-parity
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2020-06-19 14:32:00 -06:00 |
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4a2ab6d2f3
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mods to fix adapt and doc pages for restarting
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2020-06-19 12:48:06 -06:00 |
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c7874fca86
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Switched the sign of spherical harmonics for m odd
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2020-06-19 12:18:11 -06:00 |
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b83fab92bf
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document coding style and sanitizing options
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2020-06-18 13:35:07 -04:00 |
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77f6fecc86
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Merge pull request #1971 from charlessievers/chem_snap
Chemical specificity for SNAP
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2020-06-18 10:11:15 -04:00 |
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27912754c4
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Merge branch 'master' into collected-small-changes
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2020-06-17 21:18:29 -04:00 |
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8a93c84e74
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make formatting consistent with lj/cut
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2020-06-17 15:03:36 -04:00 |
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9d74984144
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Fix whitespace
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2020-06-16 07:20:09 -04:00 |
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ae435536f3
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use index style variables instead of equal style variable to allow overriding them
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2020-06-16 05:13:16 -04:00 |
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5e238b2cf4
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Merge branch 'master' into chem_snap
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2020-06-16 05:06:11 -04:00 |
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ba26b2f71f
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Update false positives and fix typos
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2020-06-15 17:24:47 -07:00 |
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7a00ec90e5
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Merge pull request #2134 from akohlmey/next_lammps_version
Update version strings for next patch release
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2020-06-15 18:20:17 -04:00 |
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30100d33c6
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get rid of tabs and trailing whitespace
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2020-06-15 17:37:45 -04:00 |
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ac87f1763c
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Merge remote-tracking branch 'refs/remotes/origin/chem_snap' into chem_snap
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2020-06-15 12:22:11 -07:00 |
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c987dfb2c9
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Merge pull request #2156 from akohlmey/collected-small-changes
Collected changes for the next patch release
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2020-06-15 14:40:27 -04:00 |
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e083416dd8
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Merge pull request #2159 from akohlmey/potential-unit-tag
Add a units consistency check by adding a UNITS: tag to potential files.
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2020-06-15 13:55:20 -04:00 |
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9aee8d41bd
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Merge branch 'master' into collected-small-changes
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2020-06-15 12:12:45 -04:00 |
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b3a99f3165
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add and document new "download" preset
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2020-06-14 19:50:14 -04:00 |
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5d3f67dff4
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Tweaked formulae for K
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2020-06-14 13:25:11 -06:00 |
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8736565977
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document the use and generation of "DATE:" and "UNITS:" tags
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2020-06-14 14:41:04 -04:00 |
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5abfcde3f7
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make subheaders and typesetting more consistent
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2020-06-14 12:41:19 -04:00 |
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