b01716472b
Merge branch 'develop' into collected-small-changes
2022-02-07 19:59:10 -05:00
b75c306543
Merge pull request #3035 from rbberger/kokkos_unittests
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Add force style tests for Kokkos OpenMP
2022-02-07 19:57:09 -05:00
2445f85dde
Merge branch 'develop' into collected-small-changes
2022-02-07 17:08:03 -05:00
35a4c0f501
skip tests that fail with Kokkos+OpenMP
2022-02-07 16:15:32 -05:00
a7084c8fdb
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-02-07 13:04:59 -05:00
59def25eb6
tweak test epsilon for portability
2022-02-05 16:08:43 -05:00
f804ea89b9
skip force test requiring cp command
2022-02-03 16:13:07 -05:00
9a81dc58a1
Merge remote-tracking branch 'origin/develop' into kokkos_unittests
2022-01-31 11:04:18 -05:00
7ee7d0c570
apply clang-format
2022-01-30 17:18:40 -05:00
2e39971cbc
re-enable python module tests on windows
2022-01-30 16:48:11 -05:00
579ac61b5b
refactor environment variable settings. make windows compatible
2022-01-30 16:47:52 -05:00
99cb494594
remove automatic generated tag
2022-01-30 07:08:15 -05:00
4bb7457d6e
add option to allow skipping tests by setting a no${CMAKE_SYSTEM_NAME} tag
2022-01-30 05:14:57 -05:00
d62e25decc
don't specify default working directory for tests explicitly
2022-01-29 11:10:23 -05:00
7978bf671d
use canonical syntax for adding tests
2022-01-28 21:12:13 -05:00
db4e69bf38
further simplification by making STUBS an interface and alias to MPI::MPI_CXX
2022-01-28 01:00:37 -05:00
62ff23abe7
simplify building serial executables by incorporating the STUBS/mpi.o object in LAMMPS library
2022-01-27 15:59:48 -05:00
1e7969c7b9
add new pair styles harmonic/cut and harmonic/cut/omp
2022-01-15 19:34:47 -05:00
e0cde6270e
Merge branch 'develop' into kokkos_unittests
2022-01-11 12:59:36 -05:00
ecc0205436
reset force test references for Class2 angle styles
2021-12-21 11:28:26 -05:00
8dd61144cb
Merge branch 'develop' into kokkos_unittests
2021-12-20 10:54:27 -05:00
fa8e2ccee8
Merge pull request #2958 from jddietz/nm_split_styles
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nm split styles
2021-12-10 13:42:31 -05:00
e1e46b5322
Merge pull request #3033 from rbberger/unittest_tags
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Add tags to force-style unit tests
2021-12-09 18:11:08 -05:00
0d44c56ccc
use comma consistently
2021-12-09 15:50:57 -05:00
7d48324f51
tweak force test settings
2021-12-09 15:48:24 -05:00
021f6832d5
adjust epsilon for -std=c++14 and add more unstable tags
2021-12-07 17:11:29 -05:00
ac57c44552
update unit test for renamed bond style
2021-12-06 16:35:20 -05:00
085de6f857
update test and add test using maxdelcs keyword with non-default values
2021-12-03 17:16:46 -05:00
71edaca36c
update unit test reference
2021-12-03 14:20:23 -05:00
2d6e4d4d79
Merge branch 'develop' into nm_split_styles
2021-12-03 14:18:07 -05:00
7651be3e02
add force style test
2021-12-02 12:20:33 -05:00
2c5441257e
Disable tersoff with shift flag tests for kokkos_omp
2021-11-23 15:03:48 -05:00
0b87039fbb
Skip MolPairStyle:hybrid-scaled test for kokkos_omp
2021-11-23 14:28:59 -05:00
2f6bf29adf
Fixup kokkos_omp test for dpd
2021-11-23 14:06:02 -05:00
b603346a0d
Skip kspace-pppm_ad test for kokkos_omp
2021-11-23 13:56:19 -05:00
51c627df76
Add SCOPED_TRACE for better test error messages
2021-11-23 12:22:01 -05:00
073b586eee
Add EXPECT_POSITIONS() and EXPECT_VELOCITIES() test utils
2021-11-23 12:21:27 -05:00
32a53a1ae3
Use EXPECT_FORCES() in more testers
2021-11-23 11:46:33 -05:00
615b7ceca2
Simplify EXPECT_FORCES() utility function
2021-11-23 10:59:40 -05:00
68360b9335
Add test utility method EXPECT_FORCES()
2021-11-22 16:27:18 -05:00
62b236a7cd
Use platform::path_join in unittest tree and remove redundant code
2021-11-22 15:34:23 -05:00
3d650a6bf7
Add test utility method EXPECT_STRESS()
2021-11-22 15:24:41 -05:00
bb127603ff
Use platform::unlink in unittests
2021-11-22 14:40:51 -05:00
780cf82bb0
First version of kokkos_omp test variant
2021-11-19 16:23:05 -05:00
2c8c33fb9a
add slow tag to about 60 tests that take about as much time as the 430 others
2021-11-19 15:59:19 -05:00
b55ea05f3b
Add some example tags for force style tests
2021-11-19 09:23:47 -05:00
4ac351eba6
Add tags to force-style tests
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Adds an optional "tags" entry in the force style test YAML. This is a
comma-separated list of keywords, which are parsed by CMake and added as labels
for CTest. This allows more fine-grained filtering of tests. Any
newly-generated YAML file automatically adds the "generated" tag.
2021-11-19 09:23:31 -05:00
377b5b4ab3
Merge pull request #3020 from akohlmey/collected-small-changes
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Collected small changes and fixes
2021-11-17 14:00:13 -05:00
aab4f71019
Merge branch 'develop' into multi-config-support
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# Conflicts:
# unittest/force-styles/test_error_stats.cpp
2021-11-04 15:50:49 -04:00
2cd862e4a2
Update lebedeva potential file and docs based on email on mailing list
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https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
2021-11-04 15:24:41 -04:00
