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063fc47f64
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tweak to avoid test failure on FreeBSD
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2022-06-19 06:38:14 -04:00 |
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25c74652e3
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remove bogus tags
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2022-06-04 04:25:13 -04:00 |
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7c4d77f776
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tweak epsilon for portability
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2022-06-03 07:36:25 -04:00 |
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2da61d69a1
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Merge pull request #3289 from akohlmey/collected-small-changes
A few last minutes updates and fixes for the next patch release
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2022-06-02 20:16:39 -04:00 |
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90add188cb
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Merge pull request #3279 from schererc/develop
Addition of two new MANYBODY pair styles (sw/angle/table and threebody/table)
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2022-06-02 14:24:44 -04:00 |
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e214013a91
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tweak epsilon to avoid failure on FreeBSD
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2022-06-02 07:53:41 -04:00 |
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c028dcbdf7
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small tweak
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2022-06-01 22:14:04 -04:00 |
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217b070204
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add unit tests
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2022-06-01 15:31:49 -04:00 |
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9da3dd796a
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delete undesired default members instead of making them inaccessible
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2022-06-01 02:30:25 -04:00 |
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5abb6c76af
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small tweak
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2022-06-01 02:13:02 -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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0b3efa4dd6
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set masses from BOP potential files, update unit tests accordingly
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2022-05-28 04:45:52 -04:00 |
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43b57b8aa5
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update unit test reference data
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2022-05-23 20:14:10 -04:00 |
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e7b9d03573
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crank up epsilon for tip4p/cut styles some more
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2022-05-18 00:28:42 -04:00 |
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d94bcd043b
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enforce using a single thread with Kokkos and SNAP or PACE
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2022-05-17 23:42:24 -04:00 |
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cebbd471cf
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tweak unit test epsilon for portability to MacOS /w ARM
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2022-05-17 17:15:42 -04:00 |
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47f62838db
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Merge branch 'develop' into electrode
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2022-04-29 14:37:48 -04:00 |
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b76594e551
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enforce only newton pair on with smatb pair styles. add unit tests
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2022-04-27 18:08:05 -04:00 |
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7aaa71d22e
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Merge remote-tracking branch 'lammps/develop' into electrode
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2022-04-26 10:29:39 +02:00 |
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69249e84e1
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adjust epsilon
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2022-04-23 07:35:00 -04:00 |
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9f9a5ca76f
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:53:02 -04:00 |
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c0d0c84f7d
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update unit test files to implementation changes
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2022-04-22 12:16:28 -04:00 |
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df5b1a228d
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tweak epsilon for macos/arm64
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2022-04-19 21:57:43 -04:00 |
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fcd3e76767
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skip unsupported unit tests
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2022-04-09 17:45:38 -04:00 |
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c07b06c8d1
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skip unsupported unit tests
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2022-04-09 17:44:40 -04:00 |
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19b42bc726
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Merge branch 'develop' into electrode
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2022-04-09 06:31:22 -04:00 |
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e5a01026a7
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add unit tests for fix move
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2022-04-03 03:19:47 -04:00 |
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4399559259
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adjust epsilon for unit test on MacOS
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2022-03-18 23:37:54 -04:00 |
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ad5235a764
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update yaml file for force style unit tests with higher precision numbers
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2022-03-18 22:44:50 -04:00 |
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c80a182150
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relax epsilon for MSVC++ test
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2022-03-18 21:20:44 -04:00 |
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4f3a9f9b63
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Merge branch 'develop' into neigh-request-refactor
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2022-03-18 19:23:51 -04:00 |
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58030009da
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new math constants: DEG2RAD and RAD2DEG
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2022-03-17 19:44:34 -04:00 |
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982a5719c4
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correct mixed up force and energy in pair style harmonic/cut
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2022-03-17 12:18:36 -04:00 |
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06e7bd8144
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follow KOKKOS' advice about CPU binding of threads
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2022-03-10 01:18:15 -05:00 |
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5c8f506edf
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add unit test input
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2022-03-04 16:04:04 -05:00 |
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f3e14e7b00
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Mark MolPairStyle:soft unstable
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2022-02-17 12:58:30 -05:00 |
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d95f0b3cd5
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Adjust epsilon in force-style test
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2022-02-16 17:43:16 -05:00 |
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793d76c546
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Adjust epsilon in force-style tests
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2022-02-16 17:40:34 -05:00 |
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efa5db4c58
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ELECTRODE package
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2022-02-10 11:33:38 +01:00 |
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b01716472b
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Merge branch 'develop' into collected-small-changes
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2022-02-07 19:59:10 -05:00 |
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b75c306543
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Merge pull request #3035 from rbberger/kokkos_unittests
Add force style tests for Kokkos OpenMP
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2022-02-07 19:57:09 -05:00 |
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2445f85dde
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Merge branch 'develop' into collected-small-changes
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2022-02-07 17:08:03 -05:00 |
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35a4c0f501
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skip tests that fail with Kokkos+OpenMP
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2022-02-07 16:15:32 -05:00 |
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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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59def25eb6
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tweak test epsilon for portability
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2022-02-05 16:08:43 -05:00 |
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f804ea89b9
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skip force test requiring cp command
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2022-02-03 16:13:07 -05:00 |
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9a81dc58a1
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Merge remote-tracking branch 'origin/develop' into kokkos_unittests
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2022-01-31 11:04:18 -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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2e39971cbc
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re-enable python module tests on windows
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2022-01-30 16:48:11 -05:00 |
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579ac61b5b
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refactor environment variable settings. make windows compatible
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2022-01-30 16:47:52 -05:00 |
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