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9e0e0ce310
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add support for Bi to MEAM and sc lattices. taken from unfinished PR #3261
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2022-08-18 22:50:03 -04:00 |
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d9320c61bb
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adding test for fix wall/region
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2022-08-15 02:13:05 -04:00 |
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1c63159a80
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add test input for amoeba angle style
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2022-08-11 22:54:42 -04:00 |
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42594bbbb7
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Convert path to test inputs folder to native syntax on windows to make tests with file copying portable.
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2022-08-06 22:46:52 -04:00 |
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e6b47b0b4d
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make test input platform independent with is_os() variable function
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2022-08-06 21:44:49 -04:00 |
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be0f4917c2
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Merge branch 'lammps:develop' into style-sdk-update
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2022-07-08 19:57:44 +09:00 |
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099992f9c2
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changed file and style names for lj/spica in unittest/force-styles/tests.
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2022-07-08 18:41:50 +09:00 |
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be25a83210
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Merge pull request #3340 from akohlmey/coul-slater-exclusions
Correct excluded force and energy term for pair style coul/slater/long
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2022-07-08 03:57:43 -04:00 |
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66c1d8bbca
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update unit test
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2022-07-07 09:01:16 -04:00 |
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ea48b031a4
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must not run hybrid styles with GPU package that use the same pair style twice
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2022-07-02 21:24:25 -04:00 |
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1f75740de7
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add unit test input for hybrid twobody/threebody sw style
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2022-07-02 18:32:23 -04:00 |
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67a3a7a6c1
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add unit test for twobody off and implement and test single() function
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2022-07-02 18:02:15 -04:00 |
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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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