9b6bb00d07
Added unit test for atom_style oxdna
2022-01-26 19:20:34 +00:00
4cd5c40374
Merge pull request #3089 from akohlmey/collected-small-changes
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Collected small changes and fixes
2022-01-19 11:44:33 -05:00
389c35a2d3
use alternate method to create triclinic box for unit test
2022-01-18 09:09:37 -05:00
0eeb3b203c
add tests for molecule command
2022-01-16 16:50:23 -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
12420181e1
Merge pull request #3072 from akohlmey/refactor-data-file-parsing
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Modernize parsing of topology data sections of data files
2022-01-04 13:21:14 -05:00
cf9429dc68
implement overloads so that utils::*numeric() functions can be safely used with std::string()
2021-12-30 11:03:37 -05:00
3262140b65
more detailed unit tests. do not fail if ncdump is missing.
2021-12-27 10:35:38 -05:00
091f6164c8
add minimal unit test for netcdf dumps
2021-12-26 23:22:53 -05:00
a653ee6b2c
recover failing unit tests and whitespace fixes
2021-12-23 15:22:58 -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
ccdb939a40
Merge pull request #3054 from nw13slx/rerun_bin
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Support binary native dump files with read_dump and rerun
2021-12-13 19:22:00 -05:00
87501347ad
add minimal unit tests for reading binary dumps
2021-12-11 21:03:32 -05:00
62f5f4d126
Merge remote-tracking branch 'github/develop' into fmt_upgrade
2021-12-10 23:04:58 -05:00
abd3df0c5a
Merge pull request #3040 from akohlmey/collected-small-changes
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Collected small changes and bugfixes
2021-12-10 15:51:13 -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
878dd746db
reduce warnings and improve portability
2021-12-09 13:55:53 -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
a354a763bb
Fix output capture mismatch
2021-11-19 17:14:52 -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
25db8a21bc
account for increased floating point errors when summing numbers to zero
2021-11-07 08:29:16 -05:00
ac6654cf0c
skip MPI tests if they would be oversubscribing the available processors
2021-11-07 08:28:16 -05:00
16c50b3873
whitespace
2021-11-07 08:27:25 -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
