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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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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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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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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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04748779fd
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tweak epsilon for portability to FreeBSD
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2021-09-08 15:41:43 -04:00 |
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b8ed4b28b3
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add test for fix adapt with hybrid pair
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2021-08-31 14:28:09 -04:00 |
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4be33df8fb
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relax force test epsilon values a little for cross-platform tests
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2021-08-27 14:57:31 -04:00 |
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c7357d5731
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-08-26 05:30:50 -04:00 |
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e3af1544f1
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Merge pull request #2804 from Vsevak/tip4p_fix_types
Fix atom types handling in the tip4p/gpu kernels
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2021-08-26 01:08:19 -04:00 |
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8468d89ec8
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tweak epsilon for passing test on macOS
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2021-08-25 23:31:53 -04:00 |
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cc98f9b1e6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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b55673f0a6
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add unit test
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2021-08-25 07:42:37 -04:00 |
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61b9d4a19f
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update epsilon
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2021-08-25 07:42:37 -04:00 |
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ccbf39d2c9
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add unit tests using pppm and ewald with a tilted box
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2021-08-24 16:00:26 -04:00 |
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2150fb7413
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adjust epsilon for portability
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2021-08-24 15:41:42 -04:00 |
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2239130798
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randomize bilayer data file positions to make interlayer tests more reliable
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2021-08-24 15:41:28 -04:00 |
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862cb43fa9
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Enable unittest for GPU lj/cut/tip4p/long
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2021-08-24 17:07:51 +03:00 |
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cb19806020
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update ReaxFF reference data due to use of more precise constants in fix qeq/reax
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2021-08-23 20:34:44 -04:00 |
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8b2e3ad3ee
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add unit tests for fix addtorque
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2021-08-22 14:27:38 -04:00 |
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bb5a11b330
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add timestepping unit tests for atom style sphere
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2021-08-22 14:16:50 -04:00 |
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db887b4d7a
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add unit test for angle style dipole
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2021-08-22 11:49:29 -04:00 |
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433ece22ec
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add unit test for dihedral style spherical
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2021-08-22 11:28:32 -04:00 |
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eeff288541
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tweak settings to pass OpenCL GPU tests in mixed precision
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2021-08-22 10:50:28 -04:00 |
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dd670bab66
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update dipole data file with randomized dipole orientations
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2021-08-21 20:50:16 -04:00 |
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46e4e1b60e
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add kspace tests with dipoles
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2021-08-21 20:45:25 -04:00 |
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