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932f10e3b6
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update README for syntax and added arguments in run_tests.py
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2024-09-06 12:46:42 -05:00 |
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de8dc82801
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report walltime normalized by the reference walltime for completed runs in the progress.yaml file
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2024-09-06 09:19:00 -05:00 |
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e1d6bb91a8
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get reference walltime from running bench/in.lj, guess the default config file if not specified from the command line args
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2024-09-06 09:06:45 -05:00 |
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f179f2a80d
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update a few reference data files for current LAMMPS
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2024-09-06 07:32:19 -04:00 |
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93de00f649
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move kspace style definition after reading the data file to comply with needs of recent LAMMPS versions
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2024-09-06 07:25:52 -04:00 |
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683643c248
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sort lists of bonds, angles, dihedrals and impropers by atom IDs before comparing
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2024-09-06 07:25:01 -04:00 |
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4554c0367b
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use memcpy() instead of strncpy() to avoid issues with adding a terminal zero and array boundaries
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2024-09-06 07:24:07 -04:00 |
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95cb7d7dd8
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Merge branch 'develop' into quick-regression
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2024-09-05 17:23:52 -04:00 |
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688cff71e6
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print out more info for failed tests if verbose is True, indent output
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2024-09-05 11:22:00 -05:00 |
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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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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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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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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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35c36bb16e
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step version number for LAMMPS-GUI
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2024-08-31 00:55:22 -04:00 |
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9d9e591b54
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first try at implementing lammps_extract_atom_size()
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2024-08-30 22:50:42 -04:00 |
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6b1aec981e
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exceptions are always enabled now
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2024-08-29 22:33:40 -04:00 |
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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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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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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
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make plugin path canonical
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2024-08-27 17:18:11 -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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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
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fix cut-n-paste issue
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2024-08-27 10:10:29 -04:00 |
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a59ac7ec86
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Reduced the timeout for quick reg tests
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2024-08-26 17:43:36 -05:00 |
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1148f5f5c8
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cast into PosixPath to str before writing to file
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2024-08-25 16:41:26 -05:00 |
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9f20e5b7f7
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put a timeout for a run, specified in the config file
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2024-08-25 16:19:52 -05:00 |
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04400e10a8
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Updated the regression tester run_tests.py to handle list of input scripts
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2024-08-25 16:02:16 -05:00 |
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c68981c7fc
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build LAMMPS-GUI flatpack from release branch of the official repo
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2024-08-25 16:37:49 -04:00 |
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9e5e1af125
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update TODO list for LAMMPS-GUI
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2024-08-25 16:25:42 -04:00 |
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cfcbad9e38
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back to 5 sigma
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2024-08-25 16:07:22 -04:00 |
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586e5db757
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completely hide inactive atom size field instead of only disabling them
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2024-08-25 15:49:42 -04:00 |
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86975151b2
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step LAMMPS-GUI version
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2024-08-25 07:27:37 -04:00 |
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e3773cad83
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workaround for Qt 5.12 which is lacking some color constants
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2024-08-25 02:50:47 -04:00 |
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97c5bcc00c
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update
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2024-08-25 00:55:56 -04:00 |
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ac91b4fbb3
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add field to set atom size if not determined otherwise. seed by lattice spacing
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2024-08-25 00:21:07 -04:00 |
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4507101ec3
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show dark mode screenshot
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2024-08-24 22:51:50 -04:00 |
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e19556263c
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provide syntax highlighting color schemes for light and dark themes
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2024-08-24 19:28:11 -04:00 |
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baf1511f23
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add light/dark mode detection
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2024-08-24 19:21:03 -04:00 |
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35d8a3d68e
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Document 'Find and Replace' dialog
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2024-08-24 14:32:01 -04:00 |
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d98a3d61da
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reduce outlier margin from 5 sigma to 4 sigma
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2024-08-24 11:58:26 -04:00 |
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1b3652583b
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implement text search and replace functionality
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2024-08-24 11:58:14 -04:00 |
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72873b0dca
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line number area attempts to be dark mode compatible
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2024-08-24 02:56:47 -04:00 |
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