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a0dfae9876
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more debugging of restarts
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2021-08-25 16:28:40 -06:00 |
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ae94a60d4a
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more debugging
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2021-08-25 12:42:47 -06:00 |
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857d0d255d
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change OFFSET to correct value
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2021-08-24 17:25:53 -06:00 |
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30fc6e3790
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consistency between fix TTM variants
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2021-08-24 17:17:54 -06:00 |
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588f821ac8
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add support for text output and restart output
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2021-08-24 13:46:29 -06:00 |
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3d34ee5087
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Merge branch 'master' into fix-ttm-grid
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2021-08-24 11:34:27 -06:00 |
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43261c3a4f
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Merge pull request #2885 from lammps/grid-adjust
Grid adjust
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2021-08-23 21:39:35 -04:00 |
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86739c46d9
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Merge pull request #2889 from jrgissing/property/atom-group-bugfix
property/atom group bugfix
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2021-08-23 18:20:53 -04:00 |
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4e715da2f3
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Merge branch 'grid-adjust' of github.com:lammps/lammps into grid-adjust
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2021-08-23 14:57:12 -06:00 |
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0dea376e1a
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restart support for TTM fixes
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2021-08-23 14:56:33 -06:00 |
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d640cd6838
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Merge pull request #2890 from stanmoore1/kk_deform
Fix bug with v remap option in Kokkos fix deform
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2021-08-23 16:41:23 -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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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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fcc6cc628e
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fix whitespace
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2021-08-20 13:47:24 -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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537f0eed8e
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Merge pull request #2886 from akohlmey/pair-coul-exclude
Add a pair style coul/exclude for removing excluded coulomb interactions
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2021-08-19 17:25:57 -04:00 |
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f7c8b0c88b
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address spellcheck issues
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2021-08-19 17:00:46 -04:00 |
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bc6e805c99
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fix doc formatting issues
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2021-08-19 16:53:03 -04:00 |
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e1c1c663c4
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correction to doc page
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2021-08-19 14:21:15 -06:00 |
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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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11b4ae641f
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add unit test for pair style coul/exclude
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2021-08-19 05:46:12 -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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093fbfd4b5
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add documentation for pair style coul/exclude
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2021-08-19 05:25:36 -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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5c46c6d3a6
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update unit test for per-atom arrays and vectors
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2021-08-18 22:51:09 -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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