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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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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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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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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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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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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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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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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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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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1e7969c7b9
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add new pair styles harmonic/cut and harmonic/cut/omp
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2022-01-15 19:34:47 -05:00 |
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e0cde6270e
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Merge branch 'develop' into kokkos_unittests
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2022-01-11 12:59:36 -05:00 |
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ecc0205436
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reset force test references for Class2 angle styles
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2021-12-21 11:28:26 -05:00 |
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8dd61144cb
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Merge branch 'develop' into kokkos_unittests
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2021-12-20 10:54:27 -05:00 |
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fa8e2ccee8
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Merge pull request #2958 from jddietz/nm_split_styles
nm split styles
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2021-12-10 13:42:31 -05:00 |
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e1e46b5322
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Merge pull request #3033 from rbberger/unittest_tags
Add tags to force-style unit tests
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2021-12-09 18:11:08 -05:00 |
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0d44c56ccc
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use comma consistently
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2021-12-09 15:50:57 -05:00 |
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7d48324f51
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tweak force test settings
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2021-12-09 15:48:24 -05:00 |
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021f6832d5
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adjust epsilon for -std=c++14 and add more unstable tags
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2021-12-07 17:11:29 -05:00 |
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ac57c44552
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update unit test for renamed bond style
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2021-12-06 16:35:20 -05:00 |
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085de6f857
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update test and add test using maxdelcs keyword with non-default values
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2021-12-03 17:16:46 -05:00 |
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71edaca36c
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update unit test reference
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2021-12-03 14:20:23 -05:00 |
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2d6e4d4d79
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Merge branch 'develop' into nm_split_styles
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2021-12-03 14:18:07 -05:00 |
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7651be3e02
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add force style test
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2021-12-02 12:20:33 -05:00 |
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2c5441257e
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Disable tersoff with shift flag tests for kokkos_omp
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2021-11-23 15:03:48 -05:00 |
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0b87039fbb
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Skip MolPairStyle:hybrid-scaled test for kokkos_omp
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2021-11-23 14:28:59 -05:00 |
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b603346a0d
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Skip kspace-pppm_ad test for kokkos_omp
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2021-11-23 13:56:19 -05:00 |
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2c8c33fb9a
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add slow tag to about 60 tests that take about as much time as the 430 others
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2021-11-19 15:59:19 -05:00 |
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b55ea05f3b
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Add some example tags for force style tests
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2021-11-19 09:23:47 -05:00 |
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2cd862e4a2
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Update lebedeva potential file and docs based on email on mailing list
https://matsci.org/t/lammps-users-webpage-and-parameter-file-for-the-lebedeva-potential/39059
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2021-11-04 15:24:41 -04:00 |
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eb3f928f31
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tweak epsilon for portability with windows
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2021-11-03 10:54:40 -04:00 |
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8cf030e476
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small tweak for mixed precision GPU runs
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2021-10-16 07:28:16 -04:00 |
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56ce880b32
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update force-style test data with corrected efield strength computation
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2021-10-13 18:06:49 -04:00 |
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e79930dfb9
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add check to prohibit using fix efield component in periodic direction with reaxff
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2021-10-11 16:48:38 -04:00 |
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2290ade2f2
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ensure that fix efield is initialized before accessing its data.
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2021-10-11 15:06:24 -04:00 |
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c8c3e8f661
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use predefined constant and apply optimization for power function with integer argument
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2021-10-09 11:27:35 -04:00 |
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018e37a2e9
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add unit tests for bond style fene/nm/split and pair style nm/cut/split
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2021-10-09 11:06:18 -04:00 |
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277f7a7e51
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reduce electric field strength
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2021-09-30 08:29:55 -04:00 |
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05d2002db6
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add test for using fix acks2/reaxff with fix efield
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2021-09-30 07:04:46 -04:00 |
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cbc5a2933a
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tweak epsilon
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2021-09-21 15:44:42 -04:00 |
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c9a8319a93
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use more relealistic element ratio
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2021-09-21 15:02:45 -04:00 |
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0ddf63acc9
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update ACKS2 unit test with potential parameters from example
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2021-09-21 14:41:37 -04:00 |
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b4acacf5cb
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add minimal example and a unit test input
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2021-09-14 16:40:42 -04:00 |
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4e92c68244
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allow skipping fix timestep tests when LAMMPS was compiled for static libs
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2021-09-08 23:41:31 -04:00 |
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