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dfd0772aff
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list the failed tests (including crashed, with error, or numerical checks) into a separate file
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2024-09-05 10:38:32 -05:00 |
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4ed5dfe88d
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reported the total wall time of each run in the progress.yaml file
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2024-09-04 15:32:20 -05:00 |
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27d5ad1714
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convert string to int
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2024-09-01 08:49:13 -04:00 |
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a9573551a7
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run 100 quick test inputs at the most
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2024-09-01 08:43:16 -04:00 |
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14dc326160
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fix typo
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2024-09-01 08:36:50 -04:00 |
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6aa6ed86be
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Curb number of (randomly) selected tests for quick regression run
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2024-09-01 08:33:12 -04:00 |
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da98d30cf7
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update README
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2024-09-01 08:31:52 -04:00 |
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aa901b205d
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only run quick regression if there are actual input files to process
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2024-09-01 00:59:15 -04:00 |
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d3d9094ad0
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update settings when the actions will be triggered automatically
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2024-09-01 00:44:23 -04:00 |
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3ea0612795
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small cleanups
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2024-09-01 00:39:27 -04:00 |
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af747ac6c0
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restore old code structure so we can test subsets again
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2024-09-01 00:17:25 -04:00 |
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0f1b7b5bd6
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simplify even more
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2024-09-01 00:09:19 -04:00 |
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f39e795bca
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revert changes to create_box
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2024-08-31 23:19:16 -04:00 |
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591d20b00d
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Merge branch 'develop' into quick-regression
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2024-08-31 23:16:27 -04:00 |
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6fb50cbdc1
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integrate quick regression support into regression tester
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2024-08-31 23:16:02 -04:00 |
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62bfd7dc74
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Move Linux unit test workflow to PR #4304
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2024-08-31 16:05:55 -04:00 |
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05e836f50e
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Merge pull request #4297 from akohlmey/next_release
Update version strings for release
patch_29Aug2024
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2024-08-29 20:26:41 -04:00 |
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317fb8d537
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Merge pull request #4301 from stanmoore1/reaxff_overflow_errors
Gracefully error out if integer overflow in ReaxFF or QEq
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2024-08-29 20:19:29 -04:00 |
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4aca808da6
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Casts need to be bigint
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2024-08-29 17:40:38 -06:00 |
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7a9f0cd60d
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Fix potential overflow in Kokkos neighbor counting
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2024-08-29 14:40:50 -06:00 |
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6fd022695a
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Tweak error message
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2024-08-29 14:23:49 -06:00 |
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571076a5a7
|
Gracefully error out if integer overflow in ReaxFF or QEq
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2024-08-29 14:18:08 -06:00 |
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2581b1abfe
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update change log info for flatpak
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2024-08-28 22:13:04 -04:00 |
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a2138b79d6
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Merge branch 'develop' into next_release
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2024-08-28 22:12:31 -04:00 |
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d48ca258fa
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Merge pull request #4209 from akohlmey/plumed-plugin
Add support to build the PLUMED package as a plugin
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2024-08-28 19:10:46 -04:00 |
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2d3cd2a0b9
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fix typo in the per-job artifact names
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2024-08-28 17:22:13 -05:00 |
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a1a3e4e5b7
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name the artifacts with their matrix idx
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2024-08-28 16:45:00 -05:00 |
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04bd62a677
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add another job with the action merge
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2024-08-28 16:13:10 -05:00 |
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796a0f18d3
|
upload per-job artifacts, try action merge in a separate job
|
2024-08-28 16:07:13 -05:00 |
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5306f5ff18
|
provide path to the artifacts
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2024-08-28 15:35:25 -05:00 |
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aa088da59b
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pack test output into separate artifacts
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2024-08-28 14:43:27 -05:00 |
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af5f437aeb
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update list of dependencies
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2024-08-28 15:30:44 -04:00 |
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acfed12684
|
avoid recursion. there is only one executable.
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2024-08-28 15:12:46 -04:00 |
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4e40b4ba63
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upload the artifacts of the full regression test workflow
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2024-08-28 14:11:23 -05:00 |
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c60e69ea1e
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have a single job definition with matrix strategy, the build and env do not persist between jobs
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2024-08-28 14:06:40 -05:00 |
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4e8c1f3284
|
Merge branch 'develop' into plumed-plugin
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2024-08-28 14:28:05 -04:00 |
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f5ffb28a1f
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use the log file with 1 proc in serial runs, removed examples/bpm/impact/brokenDump
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2024-08-28 12:57:58 -05:00 |
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0ad64045f5
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Merge pull request #4298 from akohlmey/collected-small-fixes
Collected small fixes for LAMMPS and LAMMPS-GUI for the stable release
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2024-08-28 11:54:27 -04:00 |
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f2102b76f2
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cosmetic
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2024-08-28 11:09:47 -04:00 |
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78310bddcf
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update docs for LAMMPS-GUI plugin changes and document flatpak build
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2024-08-27 21:43:00 -04:00 |
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932eaf864a
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must register variant for QList<QString> before using QSettings
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2024-08-27 21:19:09 -04:00 |
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99e5b06279
|
make plugin path canonical
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2024-08-27 17:18:11 -04:00 |
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98b4771ed6
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sanity check
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2024-08-27 17:18:01 -04:00 |
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c01585e8b2
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revise plugin loading logic
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2024-08-27 17:02:17 -04:00 |
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49d664583a
|
correct define
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2024-08-27 17:00:42 -04:00 |
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4060de6a9c
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make handling of plugin path and recent files more consistent
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2024-08-27 14:27:39 -04:00 |
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83aab0f425
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add option to set plugin path from the command line
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2024-08-27 10:40:24 -04:00 |
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d8b9679b87
|
fix cut-n-paste issue
|
2024-08-27 10:10:29 -04:00 |
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5fbdf155e5
|
remove unused variables
|
2024-08-27 08:57:42 -04:00 |
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2ebe1f019f
|
avoid uninitialized data access in case there are no atoms owned by a process
|
2024-08-26 21:14:44 -04:00 |
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