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755e71e5a2
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Missing space between words
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2024-11-04 16:09:10 -07:00 |
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34113226ae
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Updating pair tracker example
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2024-11-04 13:57:54 -07:00 |
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5ce635757f
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Simplifying smoothing for bpm/rotational bond style
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2024-11-04 13:42:09 -07:00 |
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778693c300
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Minor clean ups to BPM bonds
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2024-11-04 13:31:51 -07:00 |
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645d02d13b
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sph typo
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2024-11-04 13:30:37 -07:00 |
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3b3d39a8cd
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Minor granular include clean up
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2024-11-04 13:29:32 -07:00 |
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3e531b9842
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Adding clarifying comment
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2024-11-04 13:24:27 -07:00 |
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bf888045d6
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Fixing memory seg fault w/ multi occasional nlist
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2024-11-04 13:16:07 -07:00 |
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d2f761f8ed
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Avoiding potential segfault with granular rolling model
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2024-11-04 12:42:04 -07:00 |
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10767b1247
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Merge branch 'develop' into small-patches
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2024-11-04 12:37:57 -07:00 |
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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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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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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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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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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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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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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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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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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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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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f128abe002
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improve OPLS description
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2024-10-18 21:51:43 -04:00 |
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2074b0c400
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add check to allow only valid swaps between hybrid sub-styles and document it
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2024-10-18 21:49:55 -04:00 |
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