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e188b7d75f
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remove "tags: generated"
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2024-10-07 17:56:59 -04:00 |
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74ac224dd9
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Create fix-timestep-wall_region_sphere.yaml
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2024-10-07 17:05:08 -04:00 |
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a8157fc68e
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relax epsilon for kokkos_omp to pass
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2024-10-05 16:41:02 -04:00 |
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ca6e9abefa
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update a few more tests for IntelLLVM
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2024-10-05 03:37:33 -04:00 |
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e4dcdcd221
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skip KokkosOpenMP tests when Kokkos includes GPU support
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2024-10-05 03:05:04 -04:00 |
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cdd538e24e
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relax epsilon for IntelLLVM compiler
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2024-10-05 02:41:03 -04:00 |
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130548156d
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Merge branch 'develop' of github.com:lammps/lammps into alphataubio-kokkos-fixes
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2024-10-04 09:30:33 -06:00 |
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13ceebe82c
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fix recenter test skipped for respa
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2024-10-03 18:45:52 -04:00 |
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1799f887d2
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Update test_atom_styles.cpp
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2024-10-03 18:36:39 -04:00 |
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86fc79d2de
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Update fix-timestep-wall_lj93_const.yaml
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2024-10-03 18:20:09 -04:00 |
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6f068fc067
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Update fix-timestep-wall_region_harmonic.yaml
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2024-10-03 18:19:53 -04:00 |
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bf12caf37a
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Update fix-timestep-wall_region_lj126.yaml
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2024-10-03 18:18:02 -04:00 |
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c059961b8f
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Update fix-timestep-wall_region_lj1043.yaml
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2024-10-03 18:17:39 -04:00 |
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81db0a4a80
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Update fix-timestep-wall_region_morse.yaml
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2024-10-03 18:16:41 -04:00 |
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9ad3e59c8f
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Update test_atom_styles.cpp
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2024-10-03 12:38:32 -04:00 |
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b5fdd8f0ae
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Revert "update atom_style template test for added charge"
This reverts commit 3ea74b1725.
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2024-10-03 10:26:24 -04:00 |
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8a7572fd5a
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Merge pull request #4181 from gplummer317/ctip
Charge Transfer Interatomic Potential (CTIP) pair style and qeq fix
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2024-10-02 19:26:09 -04:00 |
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e61d9f08ee
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regenerate fix wall/region tests
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2024-10-01 13:00:59 -04:00 |
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8332d89a4a
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regenerate fix recenter tests
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2024-10-01 12:46:33 -04:00 |
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e32a2fa71a
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punt again
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2024-10-01 02:39:17 -04:00 |
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9daa1b715a
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Merge branch 'lammps:develop' into alphataubio-kokkos-fixes
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2024-10-01 02:13:26 -04:00 |
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9f33efc1b9
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resolve conflict
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2024-10-01 02:12:49 -04:00 |
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b12aeb79b0
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Merge branch 'develop' into collected-small-changes
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2024-09-30 22:10:14 -04:00 |
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7276d5301b
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update unit test for change in MS-MEAM
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2024-09-27 14:18:18 -04:00 |
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e29e943ae6
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apply clang-format
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2024-09-25 18:48:47 -04:00 |
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725f6db5c1
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skip no longer needed
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2024-09-25 17:58:34 -04:00 |
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e17e6e7a9d
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restore dihedral test
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2024-09-25 17:58:22 -04:00 |
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fee06d0d12
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Merge branch 'develop' into kokkos-unit-testing
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2024-09-25 17:52:59 -04:00 |
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149e92d1b9
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Merge branch 'develop' into kokkos-unit-testing
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2024-09-25 17:25:38 -04:00 |
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b9600c5a67
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-09-23 14:50:45 -04:00 |
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6f6e365682
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unit test for extract() in angle-cosine_periodic.yaml
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2024-09-22 20:24:26 +02:00 |
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11aa128951
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unit test for extract() in angle-fourier_simple.yaml
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2024-09-22 20:23:32 +02:00 |
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950bcba592
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unit test for extract() in angle-fourier.yaml
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2024-09-22 20:22:43 +02:00 |
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8355d3796a
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unit test for extract() in angle-cosine_squared_restricted.yaml
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2024-09-22 20:09:37 +02:00 |
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662ea3a191
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unit test for extract() in angle-quartic.yaml
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2024-09-22 20:08:52 +02:00 |
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517b4f4342
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unit test for extract() in angle-dipole.yaml
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2024-09-22 20:06:17 +02:00 |
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d6d63b87d1
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unit test for extract() in angle-class2.yaml
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2024-09-22 20:05:32 +02:00 |
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1287977bee
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unit test for extract() in angle-spica.yaml
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2024-09-22 20:04:32 +02:00 |
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cd4bada16f
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unit test for extract() in angle-charmm.yaml
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2024-09-22 20:03:33 +02:00 |
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25c9f5a6ff
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unit test for extract() in angle-mm3.yaml
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2024-09-22 20:01:52 +02:00 |
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96d99e3dd6
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unit test for extract() in bond-fene_expand.yaml
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2024-09-22 15:33:46 +02:00 |
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0d6abcb86a
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unit test for extract() in bond-mm3.yaml
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2024-09-22 15:31:01 +02:00 |
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958f2ae58b
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add tests for library interface and python
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2024-09-20 03:57:12 -04:00 |
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11838801d6
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add extract() function to angle style cosine/squared
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2024-09-19 07:21:15 -04:00 |
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6f10648d5f
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update unit test
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2024-09-19 05:03:37 -04:00 |
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575c1014d4
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bugfix in lammps-open.py unit test
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2024-09-17 22:13:07 -06:00 |
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3effab8024
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Merge branch 'lammps:develop' into develop
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2024-09-17 13:47:55 -04:00 |
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e1f36275f1
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Update fix-timestep-epot_lepton.yaml
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2024-09-17 10:49:44 -04:00 |
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995ccd494e
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Update fix-timestep-epot_lepton_region.yaml
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2024-09-17 10:46:17 -04:00 |
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47bb1a8748
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update unit test
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2024-09-16 21:04:22 -04:00 |
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