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1c7bf82930
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initialize scale array
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2021-08-21 20:30:38 -04:00 |
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4032c6da98
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fix restart bug
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2021-08-21 20:30:15 -04:00 |
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3083e6f4cb
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make ewald/disp/dipole an alias for ewald/disp for more obvious choices for users
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2021-08-21 15:56:46 -04:00 |
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2afa00ae66
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pretty
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2021-08-21 15:18:54 -04:00 |
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ad5cc694dc
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correctly check for and enable/disable dipole and dispersion support
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2021-08-21 15:18:44 -04:00 |
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d8f0cec031
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updates/bug-fixes to parallel fix ttm/grid
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2021-08-20 16:57:20 -06:00 |
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7c61e96f0b
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Fix bug with v remap option in Kokkos fix deform
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2021-08-20 16:08:06 -06:00 |
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1a81a94dfb
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fix up whitespace issues (remove tabs, trailing whitespace)
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2021-08-20 15:00:19 -04:00 |
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29fe006e46
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fix issue in non-perioidic msm.cpp to allow it to work with any grid partitioning
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2021-08-20 12:43:47 -06:00 |
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1eb506002b
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Merge pull request #2888 from lammps/sticker-bonds
Sticker bonds
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2021-08-20 14:28:57 -04:00 |
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8735555e00
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1 liner fix for PR #2342
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2021-08-20 14:17:05 -04:00 |
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5d30b7cc75
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correct reverted URL
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2021-08-20 11:35:17 -04:00 |
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2a06484511
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Merge branch 'master' of https://github.com/lammps/lammps into lammps-master2
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2021-08-20 10:53:04 -04:00 |
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55605167ab
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Merge pull request #135 from lammps/master
rebase
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2021-08-20 10:26:57 -04:00 |
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92d9efa1af
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Merge branch 'master' into gpu-newton-pair-on
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2021-08-19 23:25:49 -05:00 |
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904a2ef910
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Reverted the default setting of newton_pair off for FixGPU; newton_pair can be set to be on via command-line options of package gpu
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2021-08-19 22:54:06 -05:00 |
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7a8afb6eef
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add fragment count to molecule file output
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2021-08-19 20:10:26 -04:00 |
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f0a041799f
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add original TTM for testing
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2021-08-19 16:55:57 -06:00 |
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95bae4d78c
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sync with current master
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2021-08-19 16:09:41 -06:00 |
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9577db6578
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Merge branch 'master' into fix-ttm-grid
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2021-08-19 16:00:56 -06:00 |
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3404920e98
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Merge pull request #2342 from lammps/fix-property-array
Enable fix property/atom to create custom arrays
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2021-08-19 17:33:55 -04:00 |
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b0197e0607
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Merge branch 'master' into grid-adjust
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2021-08-19 17:29:51 -04:00 |
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d4de26f6ef
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fix whitespace issues
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2021-08-19 17:28:48 -04:00 |
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845cebaab1
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Add comment
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2021-08-19 14:02:57 -06:00 |
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eebbbe9f73
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support a second usage model with fix bond/swap
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2021-08-19 14:01:06 -06:00 |
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7d0c052425
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Fix deallocation with Kokkos
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2021-08-19 14:00:37 -06:00 |
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9470a0eeb6
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clarified doc pages for fix property/atom and read_data
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2021-08-19 11:34:25 -06:00 |
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8aeaa82909
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improve error message
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2021-08-19 11:08:04 -04:00 |
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1c67561be8
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Merge branch 'fix-property-array' of github.com:lammps/lammps into fix-property-array
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2021-08-19 09:00:51 -06:00 |
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7046b75861
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remove evil tabs
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2021-08-19 10:06:34 -04:00 |
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23231118d1
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add a couple explanatory comments
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2021-08-19 05:29:54 -04:00 |
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8b680d43e5
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add pair style coul/exclude for use with kspace style scafacos
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2021-08-19 05:00:52 -04:00 |
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7d0cdea282
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allow using kspace_style scafacos for molecular systems under certain conditions
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2021-08-19 05:00:11 -04:00 |
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4ce71fd767
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pretty
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2021-08-19 04:23:44 -04:00 |
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89de4eb7c4
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make sure that coul/exclude special neighbors are always flagged
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2021-08-19 04:23:26 -04:00 |
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3a7a5d13ef
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apply clang-format
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2021-08-19 04:22:55 -04:00 |
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e149c2fe10
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function no longer needs to be public
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2021-08-19 04:20:12 -04:00 |
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c53875421b
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fix read_data bug
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2021-08-18 22:50:42 -04:00 |
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b942c4d122
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fix data corruption bug affecting write_data
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2021-08-18 22:31:46 -04:00 |
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04b0f98a5f
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fix logic bug in utils::expand_args()
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2021-08-18 20:26:51 -04:00 |
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d9f3745eff
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pretty
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2021-08-18 20:26:01 -04:00 |
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546c9a109e
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fix uninitialized data bug
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2021-08-18 20:25:49 -04:00 |
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5e6079c2fc
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Merge branch 'fix-property-array' of github.com:lammps/lammps into fix-property-array
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2021-08-18 16:54:02 -06:00 |
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b19a211d70
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update code
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2021-08-18 18:06:21 -04:00 |
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f6874af7e5
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pretty
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2021-08-18 18:05:36 -04:00 |
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104fa4624e
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correct utils::expand_args()
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2021-08-18 18:04:44 -04:00 |
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4e16df9a21
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remove prototype for early version of partition_grid method
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2021-08-18 15:56:52 -06:00 |
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2119b59d97
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code documentation tweaks
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2021-08-18 15:49:23 -06:00 |
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1c5bdadcfb
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small alteration to code that assigns grid pts to procs
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2021-08-18 15:43:54 -06:00 |
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cf25a586bd
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debugging merged version
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2021-08-18 13:07:49 -06:00 |
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