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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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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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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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a00b396159
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re-enabled unit test
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2024-07-29 15:12:16 -04:00 |
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45795acdbf
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import bugfix for dihedral style charmmfsw from PR #4190. Test passes.
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2024-07-28 03:28:59 -04:00 |
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517fadd167
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skip kokkos_omp tests for now since they are failing
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2024-07-27 21:11:21 -04:00 |
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83297a1071
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extend force style testers for bonded interactions to check KOKKOS/OpenMP
selectively imported from PR #4190 by @alphataubio
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2024-07-27 21:06:52 -04:00 |
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a5d0efcd5b
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make test environment consistent across all force tests
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2024-07-27 20:42:42 -04:00 |
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590c7dcf8f
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Merge branch 'lammps:develop' into spica-kk
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2024-07-25 13:54:44 -04:00 |
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da2bd44b73
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modernize and reformat with clang-tidy and clang-format
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2024-07-04 11:17:54 -04:00 |
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e3fb1f24bd
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Merge branch 'develop' into collected-small-changes
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2024-06-25 19:41:45 -04:00 |
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03695ac9b1
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remove temporary files
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2024-06-25 19:39:48 -04:00 |
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01a85639f9
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Merge branch 'develop' into kokkospod
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2024-06-23 03:56:39 -04:00 |
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5207b93fd8
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small update for consistency
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2024-06-22 20:33:44 -04:00 |
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7e7f3c08f4
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make check more specific but accelerator compatible
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2024-06-22 20:29:26 -04:00 |
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e6042c7db2
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Merge branch 'develop' into spica-kk
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2024-06-22 20:27:00 -04:00 |
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fb529bb9e8
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trigger calling Fix::reset_dt() which may cause segfaults with respa
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2024-06-22 20:04:40 -04:00 |
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9dc85dec54
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apply clang-format
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2024-06-22 20:04:09 -04:00 |
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5693c8ac33
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modernize fix instance lookup
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2024-06-22 20:03:14 -04:00 |
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778d11c79e
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2024-06-19 14:46:04 -04:00 |
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629a9cbe3d
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Merge pull request #4188 from Eddy-Barraud/dpd_charged
add pair styles dpd/coul/slater/long and dpd/coul/slater/long/gpu
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2024-06-19 13:50:46 -04:00 |
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ef902b03f9
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Merge branch 'develop' into collected-small-changes
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2024-06-19 12:02:56 -04:00 |
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4e0bf6137d
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Merge pull request #4110 from uf3/ml-uf3
Implementation of pair_style uf3 and uf3/kk
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2024-06-19 11:43:32 -04:00 |
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0aff26705c
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correct force style input
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2024-06-19 10:40:19 -04:00 |
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83a024b26b
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add force style test
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2024-06-18 21:41:34 -04:00 |
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f442cb4f65
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add unit tests for pair style hybrid/molecular
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2024-06-09 11:44:35 -04:00 |
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ca8eb4fb68
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update angle spica test
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2024-06-08 21:57:24 -04:00 |
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42b4ff4cc5
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revert to develop test_angle_style, kokkos_omp test is in kokkos-unit-testing branch
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2024-06-08 21:31:31 -04:00 |
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203194c7fb
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Merge branch 'lammps:develop' into spica-kk
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2024-06-06 14:13:32 -04:00 |
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44e13d97c6
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removed more whitespace
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2024-06-05 19:55:38 -04:00 |
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f2db99193e
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removed whitespaces
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2024-06-05 19:31:12 -04:00 |
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43d94985fa
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angle-spica.yaml using in.spica and data.spica
in.spica and data.spica based on in.fourmol and data.fourmol with pair style lj_spica instead of pair style zero
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2024-06-05 19:13:16 -04:00 |
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d1978dd136
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support writing data files with PairIJ sections for all generic testers
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2024-06-04 21:57:18 -04:00 |
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261f0e0bb4
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Update test_angle_style.cpp
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2024-06-04 21:29:44 -04:00 |
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42a3c754ec
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fixes
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2024-06-04 21:26:58 -04:00 |
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657befa959
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second version angle_spica_kokkos and added kokkos_omp test to test_angle_style
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2024-06-04 20:24:33 -04:00 |
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2fbfa623cd
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fix fdotr and update the force-styles unittest
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2024-05-22 23:56:16 -04:00 |
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42a4e63061
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Merge branch 'lammps:develop' into ml-uf3
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2024-04-17 16:45:33 -04:00 |
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f6c8bd1178
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Updated pair_coeff in unittest to read only one potential file; added Nb.uf3 unified potential file
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2024-04-15 10:51:39 -04:00 |
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01b1d047a2
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Merge branch 'lammps:develop' into ml-uf3
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2024-04-13 18:56:07 -04:00 |
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5af3626cf7
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adjust test coeffs to be numerically stable
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2024-04-13 11:43:30 -04:00 |
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