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397ca4bd25
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correct the file names in examples phonon that are actually not LAMMPS input
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2024-09-07 09:10:25 -05:00 |
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b6e78c1f20
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another attempt to avoid oversubscription error
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2024-09-06 21:46:18 -04:00 |
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380447c6ba
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updated regression test config files
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2024-08-23 14:44:08 -05:00 |
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aa32273aa1
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Allowed to skip input scripts whose name matches patterns, handled cases where runs completed but log.lammps has irregular format (multi, in.tmd)
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2024-07-27 17:10:23 -05:00 |
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afa44e931b
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Fixed log file name issues, ignored log files that don't give thermo ouput as normally expected
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2024-07-16 14:46:13 -05:00 |
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c7d729e3d6
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Allowed to skip a list of input scripts as specified in the config file
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2024-07-08 15:52:49 -05:00 |
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4746fe74ed
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Allowed to specify tolerances for individual input scripts, overriding the global values
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2024-07-05 09:37:06 -05:00 |
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a1f38b9a75
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Captured output of the test run, reported if the run failed (e.g. missing packages)
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2024-02-08 11:29:26 -06:00 |
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cfe6afe665
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Used the absolute path for the lammps binary, no need for symbolic links
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2024-01-31 11:03:23 -06:00 |
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c0fc4c8908
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Cleaned up and tested with micelle and melt under examples
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2024-01-30 13:07:57 -06:00 |
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ba4174f474
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Added tolerances to the config file
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2024-01-29 15:25:52 -06:00 |
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9642a950b1
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Updated run_tests.py, added in.eam
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2023-11-13 11:19:59 -06:00 |
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6942103c27
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Initiated the regression test setup
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2023-10-25 11:21:00 -05:00 |
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