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c83ae0365e
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fix typo ncite in test_improper_style.cpp
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2025-02-14 09:09:10 +02:00 |
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2a35452c13
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fix typo and add new line
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2025-02-14 06:40:01 +00:00 |
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52312fcd1d
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test for extract() in improper class
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2025-02-14 06:22:29 +00:00 |
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da1bbec0be
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set lmp pointer to NULL after delete to avoid using it or deleting it a second time
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2025-01-29 23:32:52 -05:00 |
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06bdb7b637
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refactor catching exceptions during LAMMPS initialization
this will avoid the nasty segfaults with "cannot have multiple stdout capturers"
instead it will catch and display any exception thrown during init.
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2025-01-29 23:09:48 -05:00 |
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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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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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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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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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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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9587e92a3c
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increase numdiff fudge factor so that individual epsilons need to be changed less
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2024-01-13 10:33:13 -05:00 |
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e51a44862c
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add fix numdiff test to check consistency between energy and force for bonded interactions
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2024-01-12 18:59:43 -05:00 |
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ddd5cc1a73
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avoid segfault on command errors in force style unit tests and print error mesage instead
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2023-11-16 17:53:12 -05:00 |
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46768d0ff3
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Correctly build argv with nullptr at the end
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2023-11-08 09:18:58 -07:00 |
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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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ab899861d5
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apply clang-format
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2022-09-10 03:21:28 -04:00 |
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234b9f180a
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use clang-tidy and clang-format to update/modernize/simplify code
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2022-05-31 14:46:57 -04:00 |
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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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7ee7d0c570
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apply clang-format
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2022-01-30 17:18:40 -05:00 |
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32a53a1ae3
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Use EXPECT_FORCES() in more testers
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2021-11-23 11:46:33 -05:00 |
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62b236a7cd
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Use platform::path_join in unittest tree and remove redundant code
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2021-11-22 15:34:23 -05:00 |
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3d650a6bf7
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Add test utility method EXPECT_STRESS()
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2021-11-22 15:24:41 -05:00 |
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bb127603ff
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Use platform::unlink in unittests
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2021-11-22 14:40:51 -05:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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190a689354
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Merge branch 'master' into gpu-unittest
# Conflicts:
# unittest/force-styles/test_pair_style.cpp
# unittest/force-styles/tests/angle-cosine_periodic.yaml
# unittest/force-styles/tests/mol-pair-born.yaml
# unittest/force-styles/tests/mol-pair-born_coul_dsf.yaml
# unittest/force-styles/tests/mol-pair-born_coul_long.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm_table.yaml
# unittest/force-styles/tests/mol-pair-born_coul_wolf.yaml
# unittest/force-styles/tests/mol-pair-morse.yaml
# unittest/force-styles/tests/mol-pair-morse_smooth_linear.yaml
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2021-04-06 14:45:06 -04:00 |
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487c55edf0
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simplify and apply clang-format
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2021-03-24 11:24:55 -04:00 |
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154b8cb401
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remove dead code
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2021-03-19 11:42:09 -04:00 |
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205b45423c
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combine repetitive code into convenience function
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2021-03-01 20:07:19 -05:00 |
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74713be4a2
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add new key to YAML files: skip_tests
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2021-03-01 19:27:11 -05:00 |
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19311d408d
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use utils::trim() to remove extra whitespace from ctime() output.
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2021-02-26 23:10:43 -05:00 |
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d81ca27e96
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align tester sources with current state of other testers
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2021-02-24 17:31:09 -05:00 |
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8d0d7f4f55
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Fix testers after API change
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2020-10-05 21:53:38 -04:00 |
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051ab1f5c2
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add test for dihedral style
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2020-08-14 23:21:30 -04:00 |
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a65c672afc
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add tests for all improper styles except hybrid
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2020-08-14 23:10:35 -04:00 |
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a33c0081cd
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setup a simple improper-harmonic test
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2020-08-08 15:58:41 -04:00 |
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ffb074e812
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created an empty tester for improper style
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2020-08-07 22:15:40 -04:00 |
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