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7c723b4852
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add support for a region keyword to fix edpd/source and fix tdpd/source
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2023-04-21 17:58:28 -04:00 |
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e6e7121445
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Merge pull request #3744 from jtclemm/granular-updates
Small fixes to GRANULAR
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2023-04-20 19:51:52 -04:00 |
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6ef6d6f0b2
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Fixing group mask bug in gran wall, clean up redundant nullptr assignments
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2023-04-20 11:17:24 -06:00 |
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b548a06270
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Redefining already used variable name a->A in pair granular doc
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2023-04-20 10:19:05 -06:00 |
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e99a41158e
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Merge pull request #3727 from taylor-a-barnes/taylor
Small enhancements to the mdi/qm fix
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2023-04-19 14:22:11 -04:00 |
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2cf690cc99
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fix typo
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2023-04-19 13:28:02 -04:00 |
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58be6dcd52
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Merge branch 'develop' into taylor
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2023-04-19 13:27:36 -04:00 |
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dab02394ce
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whitespace
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2023-04-19 13:27:29 -04:00 |
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29ad47cc0f
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cosmetic changes to comments and code structure
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2023-04-19 10:22:10 -06:00 |
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9aa8f1bfb1
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Merge pull request #3739 from stanmoore1/kk_hash
Fix compile error with latest Kokkos `develop` branch
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2023-04-19 12:08:53 -04:00 |
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76afaefe45
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Merge pull request #3735 from akohlmey/collected-small-changes
Collected small changes and fixes
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2023-04-19 09:50:30 -04:00 |
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040a43b50b
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add false positives
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2023-04-18 22:01:51 -04:00 |
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a9e715bce8
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KOKKOS updates
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2023-04-18 22:01:39 -04:00 |
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4e466d8840
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whitespace
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2023-04-18 21:49:55 -04:00 |
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1404424071
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Merge branch 'develop' into collected-small-changes
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2023-04-18 21:49:32 -04:00 |
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bc27e96d23
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Merge pull request #3737 from athomps/gcmc-region-triclinic
Updated fix gcmc log file contents with correct species counts
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2023-04-18 21:30:22 -04:00 |
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f436bd69b5
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Merge pull request #3734 from lammps/example-couple-lammps-spparks
Update examples/COUPLE for LAMMPS + SPPARKS (kMC code)
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2023-04-18 21:29:52 -04:00 |
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3b0eedeb08
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Merge pull request #3731 from yury-lysogorskiy/patch-1
Update reference in pair_pace doc page
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2023-04-18 20:52:46 -04:00 |
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94c773ee03
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Merge pull request #3738 from athomps/smtbq-cites
Updated SMTBQ doc page citations
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2023-04-18 19:48:37 -04:00 |
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c1eecf0b48
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Fix compile error with latest Kokkos lib
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2023-04-18 14:08:45 -07:00 |
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c2a58a692a
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Updated SMTBQ doc-page citations
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2023-04-18 14:25:32 -06:00 |
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5547492d34
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Updated log file contents with species counts
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2023-04-18 14:03:04 -06:00 |
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fcea2cc5b5
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zero out fix external local data when allocated to avoid uninitialized data access
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2023-04-18 09:53:01 -04:00 |
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43cf7e9094
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mention DIFFRACTION package under Restrictions
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2023-04-17 08:57:02 -04:00 |
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08bf9e2513
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apply clang-format
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2023-04-16 12:35:41 -04:00 |
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a7460445bb
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simplify and modernize. apply clang-format.
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2023-04-16 12:14:59 -04:00 |
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7e4d180e57
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silence compiler warnings
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2023-04-15 22:00:42 -04:00 |
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88dcad59af
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silence compiler warnings
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2023-04-14 14:59:25 -04:00 |
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213a6d8ac8
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silence compiler warning
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2023-04-14 14:49:59 -04:00 |
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82e17c8aec
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add image outputs to both couple codes
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2023-04-14 12:11:09 -06:00 |
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32f9800943
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testing new version of coupling
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2023-04-14 11:00:59 -06:00 |
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ca2222e11f
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update contact info
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2023-04-13 20:06:35 -04:00 |
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fbded8d8f4
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include fix from @ndtrung81
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2023-04-13 20:06:35 -04:00 |
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8a3d0caffd
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consistently apply \vec{} macro to only the first text/character and not subscripts
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2023-04-13 20:06:35 -04:00 |
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bfe40a324a
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correct LaTeX formatting issues reported at https://matsci.org/t/latex-math-in-pair-amoeba-rst/47987/1
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2023-04-13 20:06:35 -04:00 |
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e506dd738b
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Merge pull request #3733 from stanmoore1/kk_pace_bug
Fix bug in Kokkos PACE
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2023-04-13 19:15:51 -04:00 |
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7f35ecffcc
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more edits
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2023-04-13 12:55:38 -06:00 |
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24365d7353
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Allow UVM to compile
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2023-04-13 12:33:44 -06:00 |
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9279f6b385
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Fix bug in Kokkos version of PACE
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2023-04-13 12:33:31 -06:00 |
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d685bf8962
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Update pair_pace.rst
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2023-04-13 11:01:04 +02:00 |
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6e47e5284e
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Update reference in pair_pace.rst
Update reference to extrapolation grade paper (Phys Rev M)
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2023-04-13 10:58:57 +02:00 |
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a9c686dfcc
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Merge pull request #3729 from GenieTim/absmax-absmin-reduce
Introduce compute reduce minabs and maxabs
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2023-04-12 18:24:15 -04:00 |
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b3c00f3edf
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modernize a couple examples/COUPLE apps
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2023-04-12 15:59:12 -06:00 |
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09a9951c69
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whitespace
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2023-04-12 17:21:02 -04:00 |
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56b5291529
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Merge pull request #1394 from valleymouth/granular-kokkos
Kokkos exchange comm for fixes
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2023-04-12 14:59:14 -04:00 |
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4e33b1b867
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Fix implementation of absmax
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2023-04-12 09:28:15 +02:00 |
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7a32152ee5
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Implement maxabs and minabs atom reduction operations
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2023-04-12 09:28:04 +02:00 |
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382c09abcb
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Use correct var
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2023-04-11 16:55:45 -06:00 |
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12731f23a7
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Fix more issues
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2023-04-11 16:51:04 -06:00 |
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4a760f5e81
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Fix another bug
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2023-04-11 15:05:08 -06:00 |
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