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59bbc5bcc1
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Merge pull request #4356 from evoyiatzis/patch-1
add extract() function to few angle and bond styles
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2024-10-14 19:25:29 -04:00 |
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74af88bafd
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unit test for extract() in angle-amoeba.yaml
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2024-10-14 09:43:07 +02:00 |
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1ac351c84e
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unit test for extract() in angle-cross.yaml
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2024-10-12 15:19:08 +02:00 |
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e3ab697dd2
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unit test for extract() in angle-gaussian.yaml
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2024-10-11 19:49:24 +02:00 |
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ae652b31da
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unit test for extract() in bond-gaussian.yaml
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2024-10-11 19:48:18 +02:00 |
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391f55b377
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unit test for extract() in bond-nonlinear.yaml
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2024-10-11 11:02:55 +02:00 |
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856fd9d977
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unit test for extract() in bond-morse.yaml
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2024-10-11 11:01:57 +02:00 |
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8bc89ef8a7
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unit test for extract() in bond-class2.yaml
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2024-10-11 10:59:29 +02:00 |
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c8241dcab6
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unit test for extract() in angle-class2_p6.yaml
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2024-10-11 10:58:32 +02:00 |
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56cc9d03bd
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skip tests that are unstable on GPU
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2024-10-10 06:11:32 -04:00 |
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e6c9353ccf
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add missing dependency
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2024-10-09 00:30:46 -04:00 |
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e5ba430f5f
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re-enable KokkosOpenMP test
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2024-10-07 20:07:09 -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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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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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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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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47bb1a8748
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update unit test
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2024-09-16 21:04:22 -04:00 |
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44d86c378b
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relax epsilon or mark unstable based on test results on non-x86 architectures
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2024-09-16 00:34:28 -04:00 |
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ac5d2d560d
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remove redundant code
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2024-09-10 21:49:21 -04:00 |
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55fc12a5d1
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add force style test
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2024-09-10 21:31:27 -04:00 |
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84fa26ee2c
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update test checking tool
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2024-08-31 11:13:53 -04:00 |
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42dec6fe6e
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modernize and remove dead code
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2024-08-22 21:03:29 -04:00 |
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2cda355a92
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restore to original for windows
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2024-08-19 04:45:32 -04:00 |
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75663ab14b
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windows hack
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2024-08-19 01:21:00 -04:00 |
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ca937372f4
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fix typo
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2024-08-19 00:34:52 -04:00 |
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67e0af8a1b
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find LAMMPS python module for force style tests
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2024-08-19 00:31:24 -04:00 |
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8111697882
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relax epsilong to accommodate MSVC++
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2024-08-13 01:08:57 -04:00 |
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4ee6910d98
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add tests for 2NN MEAM potentials
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2024-08-12 23:48:06 -04:00 |
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