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da2bd44b73
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modernize and reformat with clang-tidy and clang-format
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2024-07-04 11:17:54 -04:00 |
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fc365d3d5f
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Merge branch 'develop' into always-exceptions
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2023-06-22 10:53:36 -04:00 |
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d85342cd6d
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Update test_compute_global.cpp
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2023-06-03 16:04:40 +03:00 |
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458cce7699
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Updating unit test for mop to reflect the contribution from bonds
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2023-05-27 14:33:46 +03:00 |
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3f8cd4577c
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update unit test
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2023-05-02 16:20:29 -04:00 |
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d2bb1b420d
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simplify and cleanup
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2023-05-02 11:49:13 -04:00 |
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12135bac77
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add unit tests for compute count/type
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2023-05-02 10:22:37 -04:00 |
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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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d3d83b45cb
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adjust floating point error thresholds
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2022-10-31 22:46:45 -04:00 |
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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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bb6ea422b7
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avoid global namespace import in header, more consistency
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2022-08-28 17:22:26 -04:00 |
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634496b509
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consistent naming and style
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2022-08-28 17:06:38 -04:00 |
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c054edda6b
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allow larger error margin for pressure computes
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2022-04-22 13:22:01 -04:00 |
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87c96aeeb1
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add tests for more compute styles
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2022-03-05 10:07:54 -05:00 |
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b94995cf5b
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add some TALLY package compute. simplify some code with convenience functions
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2022-03-04 06:24:37 -05:00 |
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550d523c9e
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add gyration
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2022-03-04 04:41:43 -05:00 |
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3bfb03bcb8
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test compute com and compute dipole
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2022-03-03 17:27:11 -05:00 |
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e4d920d582
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add minimal test for testing compute styles that compute global scalars
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2022-03-03 17:11:01 -05:00 |
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