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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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06207fd91e
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modify how execute() returns
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2024-10-22 23:21:37 -05:00 |
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8e81ac8c42
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Merge branch 'develop' into BPM
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2024-10-22 22:21:57 -04:00 |
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bef64fd602
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use consistent fix id and create bond history fix only when required
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2024-10-22 22:21:28 -04:00 |
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53b1ba6131
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rename id_fix to id_fix_prop_bond for consistency, fix bug when deleting/replacing fixes
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2024-10-22 21:56:19 -04:00 |
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e2214fc4d6
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Merge branch 'develop' into regression-test-update
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2024-10-22 21:10:22 -04:00 |
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e214f60d4f
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Merge pull request #4358 from junghans/cmake_voro_rename
cmake: voro target to upstream name
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2024-10-22 21:07:28 -04:00 |
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81f71716ba
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Merge branch 'develop' into BPM
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2024-10-22 20:59:12 -04:00 |
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a5599f2b75
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implement write_data(), delete created internal fix in destructor, formatting
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2024-10-22 20:59:00 -04:00 |
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1ec7ba547d
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Merge branch 'develop' into alphataubio-kokkos-fixes
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2024-10-22 14:47:19 -04:00 |
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22a15c7cf8
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cuda bugfix again
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2024-10-22 14:15:02 -04:00 |
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5bdd616bcd
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cuda bugfix
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2024-10-22 12:42:49 -04:00 |
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83db9b8fe6
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small cleanup and modernization
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2024-10-22 10:25:22 -04:00 |
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ec5dfcd0fb
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remove note that was obsoleted 5 years ago
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2024-10-22 09:50:30 -04:00 |
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1678e2af28
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adjusting howto text to reflect additional BPM/spring options.
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2024-10-21 21:21:15 -06:00 |
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e8c5e58ab9
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Adding clarifying comments
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2024-10-21 16:25:38 -06:00 |
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c8bbfc368a
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Initializing dvol array in bpm/spring
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2024-10-21 16:23:35 -06:00 |
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58ff8d3212
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Suppressing dump output in bpm examples
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2024-10-21 15:18:17 -06:00 |
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4779cc44ef
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documenting bpm anharmonic
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2024-10-21 15:07:24 -06:00 |
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baf1733b9a
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documenting bpm multibody
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2024-10-21 15:07:06 -06:00 |
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722133b60c
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typo
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2024-10-21 15:06:33 -06:00 |
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289845b187
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Adding anharmonic term to bpm/spring pair
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2024-10-21 15:06:21 -06:00 |
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a302bfed5a
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Adding multibody term to bpm/spring
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2024-10-21 15:05:55 -06:00 |
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05ee6bed3d
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Adding dividers for gran CoR model
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2024-10-21 15:02:52 -06:00 |
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5c07882a18
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fix warning(s)
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2024-10-20 18:30:19 -04:00 |
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760d871b7a
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enabled and apply clang-format
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2024-10-19 11:02:53 -04:00 |
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34ab2f862a
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small tweaks
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2024-10-18 22:09:25 -04:00 |
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