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69b32aef13
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2022-08-27 10:12:58 -04:00 |
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b31b20f336
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print error if extract_setting() uses unknown setting string.
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2022-08-27 07:02:19 -04:00 |
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60b00bfa8f
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update unit tests for variable command
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2022-08-25 05:48:07 -04:00 |
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414b0b1475
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update unit tests
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2022-08-18 10:52:25 -04:00 |
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5ff56753da
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update unit tests for changed error messages
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2022-08-17 23:56:22 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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559ced9869
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updated error messages and test for region.cpp
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2022-08-16 16:52:19 -04:00 |
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bec86f3f04
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added some death tests and more readable code for some error messages
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2022-08-15 16:16:48 -04:00 |
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29998775f0
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Added a test for region clyinder with an open face
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2022-08-14 22:48:42 -04:00 |
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f9352e6ad7
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update unit test for groups
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2022-08-11 03:56:29 -04:00 |
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4ac74a4153
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add is_os() special function to the variable command
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2022-08-06 21:44:03 -04:00 |
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533a56404a
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add more unit tests for boolean expressions
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2022-06-29 16:45:28 -04:00 |
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793069d8eb
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update and expand unit tests for if() command boolean evaluation
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2022-06-29 12:24:43 -04:00 |
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d487ab10e2
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doc page and unittest tweaks
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2022-05-17 12:00:40 -06:00 |
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c0e5a03989
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update tests for delete_atoms
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2022-05-15 01:56:59 -04:00 |
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2aa1c6975f
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fix typo
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2022-05-04 19:09:19 -04:00 |
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e897ab7611
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improve error messages
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2022-05-04 16:25:12 -04:00 |
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ba3aa8fab5
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remove NULL option for reset_timestep
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2022-05-04 16:21:06 -04:00 |
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81bb4bfc23
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Merge branch 'collected-small-changes' into add_set_time
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2022-05-04 15:49:14 -04:00 |
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059c84bf41
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Merge branch 'develop' into add_set_time
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2022-05-04 15:47:28 -04:00 |
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eec86c8038
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Merge branch 'develop' into collected-small-changes
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2022-05-04 15:45:38 -04:00 |
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f8742d599b
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merge set_time command into reset_timestep
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2022-05-04 13:24:52 -04:00 |
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0bedff1ce0
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implement set_time command
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2022-05-03 13:15:52 -04:00 |
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257a070666
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add test for ellipsoid, check for special case of ellipsoid/prism
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2022-05-03 11:02:01 -04:00 |
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bd5858019e
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add minimal unit test for Region class
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2022-05-02 17:06:28 -04:00 |
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672c063fd8
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add unit test for delete_atoms
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2022-04-29 22:33:15 -04:00 |
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9f9a5ca76f
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:53:02 -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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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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51c41f09bf
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recover unit tests for variables
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2022-03-28 09:21:25 -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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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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6ff157a099
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use quoting to avoid issues with blanks and special characters
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2022-01-29 21:05:19 -05:00 |
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cc0d91b222
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re-add copies of linked files
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2022-01-29 21:01:49 -05:00 |
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571821694e
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remove links broken on windows
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2022-01-29 21:01:35 -05:00 |
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6c98915a9c
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port to windows
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2022-01-29 20:52:37 -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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d62e25decc
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don't specify default working directory for tests explicitly
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2022-01-29 11:10:23 -05:00 |
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8423ecb211
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small tweaks to make things work with the new settings
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2022-01-28 21:28:37 -05:00 |
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62f5f4d126
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Merge remote-tracking branch 'github/develop' into fmt_upgrade
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2021-12-10 23:04:58 -05:00 |
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878dd746db
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reduce warnings and improve portability
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2021-12-09 13:55:53 -05:00 |
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377b5b4ab3
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Merge pull request #3020 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-11-17 14:00:13 -05:00 |
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25db8a21bc
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account for increased floating point errors when summing numbers to zero
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2021-11-07 08:29:16 -05:00 |
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aab4f71019
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Merge branch 'develop' into multi-config-support
# Conflicts:
# unittest/force-styles/test_error_stats.cpp
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2021-11-04 15:50:49 -04:00 |
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b7bf60ea53
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use the portable platform::unlink() instead of unlink()
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2021-11-03 14:26:50 -04:00 |
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7f0b2334a5
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update plugin loader test
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2021-11-03 11:52:32 -04:00 |
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