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b036c911e7
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fix copy-n-paste bug
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2025-06-20 14:23:22 -04:00 |
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bb0bd289b7
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update unit tests
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2025-06-20 08:38:09 -04:00 |
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7fb930daed
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start adding tests for JSON format molecule files
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2025-06-15 00:00:59 -04:00 |
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6da7e4aa47
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update molecule file tester for changed error messages
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2025-01-31 21:06:11 -05:00 |
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d84b12ea63
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define EPSILON consistently as static constexp
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2024-07-29 11:57:46 -04:00 |
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f8885cb266
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implement clang-tidy fixes
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2024-02-09 06:22:10 -05:00 |
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f23ba8fbad
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make certain temporary test files are deleted
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2024-01-16 17:54:08 -05:00 |
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f5cbef8b12
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fix typo
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2024-01-16 15:57:42 -05:00 |
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deb8416630
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update tests for echoing the title line of molecule files
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2024-01-16 13:53:07 -05:00 |
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103d8cadb9
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add unit tests for dipoles in molecule files
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2024-01-16 13:05:49 -05:00 |
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5f4a80d41f
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remove obsolete unittest code specific to handling the case of lammps exceptions disabled
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2023-04-16 12:34:47 -04:00 |
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819ab9f2ff
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portability improvements for Solaris/OpenIndiana
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2023-01-19 17:36:02 -05:00 |
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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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f3acba28c7
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make unit test Windows compatible.
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2022-09-06 23:32:38 -04:00 |
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1a5a509c1d
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add typelabel support for Shake Bond Types section in molecule files
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2022-09-05 10:28:00 -04:00 |
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53d82056ce
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add molecule file tests with type labels
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2022-09-04 21:09:43 -04:00 |
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0d88f4ccf2
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consistent naming and style
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2022-08-28 12:31:00 -04:00 |
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1de66a82de
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add tests for new API
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2022-08-13 16:02:58 -04:00 |
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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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9014664c13
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really fix unit test regexes for windows
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2022-01-29 19:07:35 -05:00 |
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c420f804d9
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make multi-line regex checks compatible with googletests Windows regex syntax
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2022-01-29 18:52:49 -05:00 |
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845ab2dd71
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On Windows the Regex matcher for '.' does not match '\n'
Thus we have to use ContainsRegex instead of MatchesRegex
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2022-01-29 16:35:30 -05:00 |
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0eeb3b203c
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add tests for molecule command
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2022-01-16 16:50:23 -05:00 |
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37bfe3d0ce
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integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
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2021-10-02 16:55:11 -04:00 |
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6bc8da05b9
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reformat unittest tree with clang-format
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2021-08-23 17:06:30 -04:00 |
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8b0a063059
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must not test for bonded interactions without MOLECULE package
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2021-06-06 18:37:14 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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a6efdf9b9f
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Clean up molecule files creation
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2021-04-19 15:14:01 -04:00 |
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bc4b4147ef
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Avoid filename collisions with AtomStyles test
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2021-04-19 14:57:41 -04:00 |
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6f986eee4e
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Add missing changes
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2021-03-29 15:01:29 -04:00 |
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aaf9aa6d69
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Refactoring of more tests
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2021-03-29 14:27:42 -04:00 |
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487c55edf0
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simplify and apply clang-format
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2021-03-24 11:24:55 -04:00 |
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7b4034d07a
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reformat. compute/check some molecule properties
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2021-03-02 23:05:27 -05:00 |
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c44dbc567d
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tweak test for creating atoms and bond from a molecule file
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2021-03-02 22:41:09 -05:00 |
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6ab8de58bc
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add a few more tests
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2021-03-02 22:26:40 -05:00 |
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16631a0c18
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add tests for one file with two molecules and two files with one each
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2021-03-02 15:54:06 -05:00 |
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e3942a0d48
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update test to use stdio consistently
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2021-03-02 12:53:15 -05:00 |
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e4ce1de66b
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add "death tests" for no molecule file and molecule file w/o atoms
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2021-03-02 12:16:12 -05:00 |
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861ad834c6
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fix typo
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2021-03-02 11:22:43 -05:00 |
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01a32b67b0
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add minimal unit test program for molecule files
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2021-03-02 11:07:03 -05:00 |
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