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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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a9c6f943e1
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correct test comparisons
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2021-11-02 23:07:44 -04:00 |
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ad81dd3960
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recover original new style library target names through ALIAS library definitions
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2021-10-22 08:23:49 -04:00 |
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6ad03498c3
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make finding plugins for testing multi-config compatible
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2021-10-21 19:22:01 -04:00 |
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510987dc80
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Merge branch 'master' into multi-config-support
# Conflicts:
# cmake/Modules/Packages/MSCG.cmake
# examples/plugins/CMakeLists.txt
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2021-10-11 17:03:41 -04:00 |
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cf4e671474
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Merge branch 'master' into fmt_upgrade
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2021-10-09 23:42:17 -04:00 |
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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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422cab8878
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update suffix command unit tests
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2021-09-23 07:30:50 -04:00 |
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41a3eccd1c
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apply utils::logical() to more commands
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2021-09-21 07:48:50 -04:00 |
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6e8091470c
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update death tests for change in error message
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2021-09-20 20:31:13 -04:00 |
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daa39d680c
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simplify
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2021-09-11 13:43:25 -04:00 |
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c394df5658
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simplify and remove unused command. more multi-config adjustments
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2021-09-11 07:30:18 -04:00 |
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30558c0cd6
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convert plugin compilation to also use add_subdirectory() instead of external project
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2021-09-11 07:01:48 -04:00 |
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932b3cabda
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add missing include (since we not longer include GTest.cmake)
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2021-09-11 06:05:29 -04:00 |
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