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c057b36c15
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-30 21:50:36 -04:00 |
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9aa9e7079a
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cleanup
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2024-10-30 21:44:27 -04:00 |
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84e234921b
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fix cuda warning
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2024-10-30 21:36:18 -04:00 |
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41672f6ac9
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this might work on cuda
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2024-10-30 20:44:25 -04:00 |
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50dd95e6e1
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move d_ubuf to kokkos_type.h
https://matsci.org/t/a-few-kokkos-development-questions/56598/8 (Q11)
"More correct would be to use a union with ubuf as is done in the atom_vec styles, so that no precision is lost for converting a huge 64-bit integer to a double."
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2024-10-30 11:32:24 -04:00 |
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6d634dc646
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Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
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2024-10-29 21:31:03 -04:00 |
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0e1137aee7
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add inertia()
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2024-10-29 18:34:30 -04:00 |
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08e460ece6
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Update fix_cmap_kokkos.cpp
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2024-10-29 14:09:48 -04:00 |
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ae4cb00402
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Update fix_cmap_kokkos.cpp
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2024-10-29 14:09:11 -04:00 |
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c17e2cd30d
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Update fix_cmap_kokkos.cpp
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2024-10-29 13:58:13 -04:00 |
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452ae4621d
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Update fix_cmap_kokkos.cpp
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2024-10-29 13:29:48 -04:00 |
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4941cf25c0
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typo
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2024-10-29 12:59:09 -04:00 |
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586f2b626d
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Update fix_cmap_kokkos.cpp
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2024-10-29 11:13:36 -04:00 |
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a6ad1a837c
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:55:59 -04:00 |
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97c6b063a7
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:41:04 -04:00 |
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7ffe6aefce
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Update fix_cmap_kokkos.cpp
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2024-10-28 18:37:21 -04:00 |
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e4a9b06320
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Update fix_cmap_kokkos.cpp
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2024-10-28 17:47:57 -04:00 |
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c00700dec7
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cuda sync
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2024-10-28 15:30:14 -04:00 |
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ef1148dfa0
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remove write_data support from BPM bond styles again and consolidate names
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2024-10-27 22:06:56 -04:00 |
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12f0eff7a6
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make group kokkos aware
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2024-10-25 20:06:13 -04:00 |
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71bbc52feb
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recommit changes from @stanmoore1
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2024-10-25 20:03:45 -04:00 |
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ea7fd079ce
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add vcm() and angmom()
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2024-10-25 19:14:20 -04:00 |
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e91b5dce78
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fix typos
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2024-10-25 18:52:50 -04:00 |
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e0c3022ec3
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printf debugging
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2024-10-25 14:55:51 -04:00 |
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6d0e633edf
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Merge pull request #4352 from ndtrung81/regression-test-update
Add a KOKKOS workflow for GitHub actions and minor updates for the regression tester
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2024-10-25 11:06:33 -04:00 |
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e1a129fbf2
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:20:14 -04:00 |
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ce830fcdbd
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:20:02 -04:00 |
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56ac4aeedf
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-24 12:12:12 -04:00 |
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00ff895c0d
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Update fix_cmap_kokkos.cpp
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2024-10-24 12:11:12 -04:00 |
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e04be85b7e
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Merge branch 'alphataubio-kokkos-fixes' of https://github.com/alphataubio/lammps-alphataubio into alphataubio-kokkos-fixes
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2024-10-24 12:07:42 -04:00 |
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4a64b3d9ce
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add d_exchange_sendlist to pack_exchange_kokkos()
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2024-10-24 12:04:41 -04:00 |
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f18850397d
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whitespace
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2024-10-24 09:43:36 -06:00 |
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f09a9c1c2a
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fix typo in cmake command
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2024-10-24 10:26:18 -05:00 |
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25eaf38cee
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use the kokkos-openmp preset for brevity
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2024-10-24 10:18:59 -05:00 |
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a844959a07
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Combine into a single -Xcudafe flag to simplify everything
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2024-10-23 23:00:17 -06:00 |
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3041443e5f
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Merge pull request #4357 from akohlmey/collected-small-changes
Collected small changes and fixes
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2024-10-23 23:25:26 -04:00 |
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73c049459b
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spelling
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2024-10-23 21:10:34 -04:00 |
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fdd2fc4f5d
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move error check to Compute::init() so they cannot be bypassed by input commands
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2024-10-23 21:08:07 -04:00 |
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b682f52d11
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fix typos
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2024-10-23 21:07:39 -04:00 |
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f207a571f3
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allow fix DUMMY to be added without a box
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2024-10-23 21:00:33 -04:00 |
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40e5d53345
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Prevent deduplication of -Xcudafe flag
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2024-10-23 15:53:56 -06:00 |
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820fe1ee8a
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Fix compile issue with gcc
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2024-10-23 12:18:20 -06:00 |
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3bac6d7cde
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Adding bpm pair write data method, blocking unreadable vol atom property in bond
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2024-10-23 11:56:07 -06:00 |
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b810053d02
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document restrictions for bonded interactions
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2024-10-23 12:35:50 -04:00 |
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915f636d50
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Update GNU Make for new files
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2024-10-23 10:28:42 -06:00 |
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ab961a006e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-10-23 12:25:22 -04:00 |
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558b1c5197
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apply clang-format, fix other minor formatting issues, use error->one()
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2024-10-23 12:10:28 -04:00 |
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077c77f402
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contributions from bonded interactions is broken when running in parallel
see https://matsci.org/t/missing-bond-contributions-from-compute-stress-mop/58455
for details.
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2024-10-23 12:09:35 -04:00 |
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46c365f75c
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Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes
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2024-10-23 09:32:27 -06:00 |
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d2b1e22b4a
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added counter for timeout tests
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2024-10-22 23:31:22 -05:00 |
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