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a5171beacd
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make lammps-shell test compatible with MULTI-CONFIG CMake builders
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2022-05-17 18:26:27 -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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d487ab10e2
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doc page and unittest tweaks
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2022-05-17 12:00:40 -06:00 |
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c0e5a03989
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update tests for delete_atoms
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2022-05-15 01:56:59 -04:00 |
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168d3bdd3c
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Correctly handle the case that the YAML python module is not installed
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2022-05-14 10:15:40 -04:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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2aa1c6975f
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fix typo
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2022-05-04 19:09:19 -04:00 |
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e897ab7611
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improve error messages
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2022-05-04 16:25:12 -04:00 |
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ba3aa8fab5
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remove NULL option for reset_timestep
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2022-05-04 16:21:06 -04:00 |
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81bb4bfc23
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Merge branch 'collected-small-changes' into add_set_time
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2022-05-04 15:49:14 -04:00 |
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059c84bf41
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Merge branch 'develop' into add_set_time
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2022-05-04 15:47:28 -04:00 |
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eec86c8038
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Merge branch 'develop' into collected-small-changes
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2022-05-04 15:45:38 -04:00 |
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61214b9a52
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Merge pull request #3243 from akohlmey/delete-by-variable
Implement variable option for delete_atoms
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2022-05-04 13:50:00 -04:00 |
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f8742d599b
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merge set_time command into reset_timestep
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2022-05-04 13:24:52 -04:00 |
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0bedff1ce0
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implement set_time command
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2022-05-03 13:15:52 -04:00 |
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257a070666
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add test for ellipsoid, check for special case of ellipsoid/prism
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2022-05-03 11:02:01 -04:00 |
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bd5858019e
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add minimal unit test for Region class
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2022-05-02 17:06:28 -04:00 |
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fef6c37ea7
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Merge pull request #3240 from akohlmey/ave-yaml-file-colname
Add support for custom column names and YAML format output to fix ave/time
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2022-05-02 11:45:50 -04:00 |
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672c063fd8
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add unit test for delete_atoms
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2022-04-29 22:33:15 -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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d8e98cb99d
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make tests more complex and add vector variable expansion
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2022-04-26 17:53:47 -04:00 |
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64fff417c3
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test more bound variants
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2022-04-26 17:25:27 -04:00 |
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7eb6c2652f
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update advanced utils tests. include test for expand args
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2022-04-26 16:16:44 -04:00 |
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837f9040d8
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add tests for advanced utility functions that require a LAMMPS instance
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2022-04-26 09:30:34 -04:00 |
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4691ff06b5
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format
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2022-04-26 09:30:10 -04:00 |
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ba02d90bf1
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add test for new errorurl() utility function
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2022-04-26 09:29:57 -04:00 |
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a649fa3a79
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detect yaml file output by file name
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2022-04-26 06:20:00 -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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9be8ef09a2
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Merge pull request #3229 from lammps/fix-adapt-angle
Fix adapt angle
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2022-04-22 22:44:18 -04:00 |
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47564ab6bc
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 22:11:41 -04:00 |
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c054edda6b
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allow larger error margin for pressure computes
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2022-04-22 13:22:01 -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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c62e2ad4d1
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disable warnings with PGI/NVHPC compilers and import CMAKE_TUNE_FLAGS
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2022-04-20 17:39:33 -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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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -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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f5add95083
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fix syntax error
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2022-04-07 06:08:54 -04:00 |
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8a6e6fe523
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make dump style yaml test dependent on it being available
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2022-04-07 05:59:31 -04:00 |
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3970942028
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add test for yaml dump style
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2022-04-07 02:44:17 -04:00 |
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98b908387f
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add unit test for yaml style thermo output and updated logfile class
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2022-04-07 02:05:47 -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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3ba7b8c24c
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add star_subst() utility function that replaces a '*' in a string with a number
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2022-03-28 22:47:20 -04:00 |
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51c41f09bf
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recover unit tests for variables
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2022-03-28 09:21:25 -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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