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bbcffd4b5a
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Merge pull request #3163 from akohlmey/test-compute
Add unit tests for computes
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2022-03-07 13:49:07 -05:00 |
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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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5c8f506edf
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add unit test input
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2022-03-04 16:04:04 -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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f3e14e7b00
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Mark MolPairStyle:soft unstable
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2022-02-17 12:58:30 -05:00 |
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d95f0b3cd5
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Adjust epsilon in force-style test
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2022-02-16 17:43:16 -05:00 |
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793d76c546
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Adjust epsilon in force-style tests
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2022-02-16 17:40:34 -05:00 |
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55703f9027
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update class instantiation unit test for kokkos to adapt to thread availability
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2022-02-15 21:54:21 -05:00 |
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e3222a4bd0
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Merge pull request #3126 from Bibobu/EAM_alloy_python_script
Added Python version of Zhou04_create_v2.f in eam_database
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2022-02-14 19:48:51 -05:00 |
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c65dbd338b
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change create_eam.py so it can be called as a function from another script
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2022-02-14 17:44:33 -05:00 |
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a77680ac7b
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Merge branch 'develop' into python_use_setuptools
# Conflicts:
# cmake/CMakeLists.txt
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2022-02-12 00:37:03 -05:00 |
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08b16f1f23
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Prevent GTest and GMock from being installed
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2022-02-10 11:27:32 -05:00 |
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b01716472b
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Merge branch 'develop' into collected-small-changes
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2022-02-07 19:59:10 -05:00 |
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b75c306543
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Merge pull request #3035 from rbberger/kokkos_unittests
Add force style tests for Kokkos OpenMP
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2022-02-07 19:57:09 -05:00 |
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2445f85dde
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Merge branch 'develop' into collected-small-changes
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2022-02-07 17:08:03 -05:00 |
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044ada9f2b
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update googletest library to current snapshot
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2022-02-07 16:46:32 -05:00 |
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e4b5245f4d
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Merge pull request #3116 from akohlmey/build-kokkos-staticlib
Build KOKKOS package updates for Python module and Windows compatibility
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2022-02-07 16:36:46 -05:00 |
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35a4c0f501
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skip tests that fail with Kokkos+OpenMP
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2022-02-07 16:15:32 -05:00 |
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a7084c8fdb
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-02-07 13:04:59 -05:00 |
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59def25eb6
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tweak test epsilon for portability
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2022-02-05 16:08:43 -05:00 |
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8fbaaffd3e
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remove incorrect scope
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2022-02-03 17:16:20 -05:00 |
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75f389f70c
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Enable PyLammps unit test, require NumPy
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2022-02-03 16:24:43 -05:00 |
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f804ea89b9
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skip force test requiring cp command
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2022-02-03 16:13:07 -05:00 |
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2a7823686d
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use introspection to check for Kokkos::OpenMP only when it is enabled
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2022-02-03 16:08:00 -05:00 |
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82ac7c9e12
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Merge remote-tracking branch 'origin/develop' into python_use_setuptools
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2022-02-02 11:47:13 -05:00 |
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d9c51ca124
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Make sure LAMMPS and unit tests use same Python version
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2022-02-02 11:44:25 -05:00 |
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172f88a0d5
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Merge pull request #3104 from ohenrich/cg-dna
CG-DNA unit test and performance enhancement
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2022-02-01 18:30:13 -05:00 |
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9a81dc58a1
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-01-31 11:04:18 -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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a8a76dbbe2
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port python module and package tests to be windows compatible. refactor environment processing
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2022-01-30 16:48:47 -05:00 |
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2e39971cbc
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re-enable python module tests on windows
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2022-01-30 16:48:11 -05:00 |
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579ac61b5b
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refactor environment variable settings. make windows compatible
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2022-01-30 16:47:52 -05:00 |
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99cb494594
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remove automatic generated tag
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2022-01-30 07:08:15 -05:00 |
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4bb7457d6e
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add option to allow skipping tests by setting a no${CMAKE_SYSTEM_NAME} tag
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2022-01-30 05:14:57 -05:00 |
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ebeb29adf6
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skip python folder tests for now on windows
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2022-01-29 21:34:51 -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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0bfc5269dd
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fix mismatches causing failures on windows
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2022-01-29 20:52:25 -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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c464c40d67
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avoid accessing uninitialized data and triggering bogus memcheck output
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2022-01-29 18:12:15 -05:00 |
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c9de8fca1d
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silence compiler warnings
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2022-01-29 17:07:00 -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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