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01abeda9ef
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Merge branch 'develop' of https://github.com/lammps/lammps into kk_npair_ghost_gpu
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2022-03-25 12:08:32 -06:00 |
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e2e046c452
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add missing host overload to make Clang happy
Change-Id: Ib0bd9dec3ecc6bf13b9894b07024172a9810cd77
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2022-03-25 12:05:25 -06:00 |
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17b35878ea
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Add version of Kokkos Ghost neigh list optimized for GPUs
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2022-03-25 12:03:20 -06:00 |
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c3f4dac7dc
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Small tweak to comments
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2022-03-25 09:45:05 -07:00 |
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6dae6198a2
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Add neigh transpose as Kokkos package option
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2022-03-25 09:17:39 -07:00 |
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2279b28df2
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Update from upstream
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2022-03-25 09:00:56 -07:00 |
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8e9b508c88
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Merge branch 'develop' of github.com:lammps/lammps into Elastic_stress
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2022-03-25 16:01:35 +01:00 |
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274db39aa5
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demo of new compute style fep/ta
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2022-03-25 22:41:39 +08:00 |
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58f59197ff
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silence warnings from coverity scan
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2022-03-25 05:30:01 -04:00 |
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08bdaf8ca7
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Merge pull request #3184 from akohlmey/next_patch_release
Update version strings for next patch release
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2022-03-24 14:27:29 -04:00 |
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dad8fb8b06
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Removing residual files
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2022-03-24 11:44:44 -06:00 |
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82f4487d4d
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Merge pull request #3185 from akohlmey/collected-small-changes
Final small changes for patch release
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2022-03-24 13:25:01 -04:00 |
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82c5c622b8
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fix temperature initialization bug in KOKKOS nose-hoover code
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2022-03-24 11:44:02 -04:00 |
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81d0165c5c
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Merge pull request #3181 from jibril-b-coulibaly/new_damp
Damping fixes for finite-size particles simulations
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2022-03-24 11:08:02 -04:00 |
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383f0adc94
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update version strings for patch release
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2022-03-23 19:44:14 -04:00 |
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6e959b6f43
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more robust response to >COORDS command
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2022-03-23 17:21:00 -06:00 |
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a3beb063a3
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update and simplify parsing of STL mesh using LAMMPS utilities
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2022-03-23 18:41:17 -04:00 |
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66f97ef6bc
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whitespace
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2022-03-23 17:22:46 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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07cec37786
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add Note to damping/cundall documentation about fix order. Remove fix order warning from fix viscous/sphere
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2022-03-23 14:59:43 -05:00 |
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42dd772455
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more work on plugin mode
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2022-03-23 13:45:20 -06:00 |
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f95aaf5898
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update settings
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2022-03-23 15:15:51 -04:00 |
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d785483c4c
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update potential file parsing in pair style meam/spline and meam/sw/spline
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2022-03-23 15:09:31 -04:00 |
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61f28aea36
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add "rewind()" member function to Text and Potential file reader classes
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2022-03-23 14:44:50 -04:00 |
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67329b6fff
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fix KOKKOS bug
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2022-03-23 14:40:17 -04:00 |
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9417e41676
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Rename sphere/bpm, remove bond instance, add smooth option
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2022-03-23 11:41:27 -06:00 |
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c4425a1b0e
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debugging plugin mode
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2022-03-23 11:17:51 -06:00 |
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59eca42127
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synchronize format handling and fix/compute/variable checking with dump custom
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2022-03-23 10:57:52 -04:00 |
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a208f1fc39
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minor tweak to one style thermo output for keeping columns straight
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2022-03-23 10:48:15 -04:00 |
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ae41996967
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add support for determining damping scale factor from atom-style variable
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2022-03-23 10:43:26 -04:00 |
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ace6c67697
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Copy .h & .cpp from compute_fep for comparison
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2022-03-23 22:26:44 +08:00 |
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1fd699d279
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enable and apply clang-format
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2022-03-23 05:06:15 -04:00 |
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b6e37c828e
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move fix viscous/sphere to EXTRA-FIX package
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2022-03-23 05:02:32 -04:00 |
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4a5f5b9980
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Merge remote-tracking branch 'github/develop' into new_damp
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2022-03-23 04:47:52 -04:00 |
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e13a70ad2f
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Merge branch 'develop' into type-labels
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2022-03-23 01:08:35 -04:00 |
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9d500280c9
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more tweaks for extep potential file
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2022-03-22 22:21:23 -04:00 |
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c18236216b
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add MPI_Group_free() support to STUBS
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2022-03-22 21:54:36 -04:00 |
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0bd8500da3
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whitespace
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2022-03-22 21:47:26 -04:00 |
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31f0d5c056
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Merge remote-tracking branch 'github/develop' into strtok-parsing-refactor
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2022-03-22 21:44:15 -04:00 |
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8ef9eae60a
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update potential file parser in pair style extep
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2022-03-22 21:43:26 -04:00 |
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080662683d
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use tokenizer to read neb initial replica files
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2022-03-22 20:54:42 -04:00 |
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4c13f99b04
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convert to use LAMMPS' tokenizer and potential file reader classes
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2022-03-22 17:59:53 -04:00 |
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194751e800
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add support for full minimizations
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2022-03-22 09:32:31 -06:00 |
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eb44b6b1fa
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Merge branch 'develop' into mdi-expand
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2022-03-22 08:39:24 -06:00 |
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6555c7302d
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debugging for series of calcs
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2022-03-22 08:38:39 -06:00 |
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d3ba1af89c
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rename cundamp to damping/cundall
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2022-03-22 09:01:53 -05:00 |
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8954ac4f20
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correct/simplify for GPU device specialization
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2022-03-21 17:12:43 -04:00 |
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643511294e
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create fix for rotational viscous damping on spheres. create fix for Cundall type damping for granular simulations
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2022-03-21 15:34:04 -05:00 |
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4c1a6d7ecf
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tweak settings for thermo style "one"
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2022-03-21 14:44:07 -04:00 |
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6c30bdf082
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add missing reaxff files to purge list
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2022-03-21 14:35:09 -04:00 |
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