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16c08516a7
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test definition of more different variable styles
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2021-03-23 16:14:40 -04:00 |
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08d4fec142
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add framework for testing the variable command
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2021-03-23 14:38:54 -04:00 |
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875327117b
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add unit test for dihedral styles table and table/cut
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2021-03-23 08:07:35 -04:00 |
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56121a524c
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correct equilibrium angle computation for angle style cosine/periodic if b < 0
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2021-03-22 16:26:50 -04:00 |
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41c2a82ccc
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Merge pull request #2666 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-03-19 13:32:42 -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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4c0efceb1e
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Remove invalid thermo accesses
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2021-03-18 14:26:52 -04:00 |
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232611c184
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Merge branch 'master' into gpu-unittest
# Conflicts:
# unittest/force-styles/tests/atomic-pair-reax_c.yaml
# unittest/force-styles/tests/improper-cvff.yaml
# unittest/force-styles/tests/improper-harmonic.yaml
# unittest/force-styles/tests/improper-hybrid.yaml
# unittest/force-styles/tests/mol-pair-lj_cubic.yaml
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2021-03-17 08:50:26 -04:00 |
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78126c5eb3
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fix cmake unit test issue
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2021-03-16 23:32:08 -04:00 |
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125ae33ccf
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convert plugin functionality into a package
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2021-03-16 23:00:16 -04:00 |
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31009b0517
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Merge branch 'master' into plugin-loader
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2021-03-16 19:46:21 -04:00 |
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42895ac6df
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Merge pull request #2654 from akohlmey/collected-small-changes
Collected small changes
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2021-03-16 19:34:54 -04:00 |
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2e45c84c6a
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Merge pull request #2655 from akohlmey/collected-refactoring
Collected small code refactoring changes
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2021-03-16 18:39:30 -04:00 |
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a6a2879807
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add a few more tokenizer test cases for added use cases.
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2021-03-15 12:02:58 -04:00 |
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47b305b558
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with the new llvm based intel compiler getrusage.mu_maxrss is zero
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2021-03-15 00:07:57 -04:00 |
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5d795130db
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more strict checking of valid input in utils::bounds() with new tests
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2021-03-14 17:59:00 -04:00 |
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4c17217ad2
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add unit tests for the exceptions thrown by ValueTokenizer when data is missing
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2021-03-14 17:28:03 -04:00 |
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6158802974
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add support for testing per-atom properties with fix property/atom
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2021-03-14 17:18:03 -04:00 |
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ad878bbf73
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tweak epsilon
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2021-03-14 05:44:39 -04:00 |
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59977d07ef
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fix unit test failure for non-verbose runs
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2021-03-14 05:00:22 -04:00 |
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5e18518f7a
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group tester covers now about 40% of group.cpp
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2021-03-14 00:49:35 -05:00 |
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9be96fb96a
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add unit test for groups
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2021-03-13 22:53:03 -05:00 |
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a1b26fdfc4
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small unit test epsion tweaks for impropers
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2021-03-13 20:48:34 -05:00 |
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5f3649ed95
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correctly process strings with DOS-style CR-LF in lammps_commands_string()
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2021-03-13 15:48:22 -05:00 |
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b2085f56d6
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install compiled plugins into the current working directory of the tester
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2021-03-12 18:35:39 -05:00 |
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93bbaef547
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add unit tests for plugin command
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2021-03-12 17:28:22 -05:00 |
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98013a1528
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add draft version of unit test (will have to be improved for MacOS)
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2021-03-12 15:32:50 -05:00 |
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76d857e428
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Add more tests for COMPRESS package
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2021-03-11 14:21:16 -05:00 |
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14da94d189
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Add more compression tests for dump local
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2021-03-11 13:27:54 -05:00 |
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f53fcf0545
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Add more compression tests for dump custom
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2021-03-11 13:12:43 -05:00 |
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7e3d1923ab
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Add more compression tests for dump cfg
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2021-03-11 13:02:18 -05:00 |
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c5cb294506
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Add other compression tests to xyz tests
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2021-03-11 12:42:19 -05:00 |
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3ebc7823b0
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Unify dump xyz/gz and xyz/zstd tests
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2021-03-11 12:28:56 -05:00 |
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fca6d6bf8f
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Unify dump local/gz and local/zstd tests
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2021-03-11 12:20:25 -05:00 |
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116ffd62de
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Unify dump custom/gz and custom/zstd tests
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2021-03-11 12:11:23 -05:00 |
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aed8608c7c
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Unify dump cfg/gz and cfg/zstd tests
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2021-03-11 11:59:49 -05:00 |
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8325740663
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add test for partition command
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2021-03-11 06:46:53 -05:00 |
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20a546c824
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Move testcase in its own file
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2021-03-10 16:08:51 -05:00 |
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aa625eaf65
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Unify dump atom/gz and atom/zstd tests
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2021-03-10 15:48:20 -05:00 |
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a548ea3bca
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Add more tests for dump atom/gz
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2021-03-10 13:40:10 -05:00 |
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6b3f0ddd3b
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Merge pull request #2647 from agiliopadua/fep
Updated examples in USER-FEP
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2021-03-08 23:00:33 -05:00 |
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37afa0e6d5
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Merge pull request #2638 from akohlmey/parse-molecule-refactor
Further refactor parsing of molecule files
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2021-03-08 20:04:07 -05:00 |
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f17ac30875
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Merge pull request #2590 from markc242/relres-update
New pair style lj/relres
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2021-03-08 19:53:03 -05:00 |
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728b4801fd
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Use other example for thermo_style multi test
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2021-03-08 18:15:43 -05:00 |
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debb0ef63d
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Add comments for review
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2021-03-05 10:59:52 -05:00 |
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0857bccc10
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Add RCB tests
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2021-03-04 18:31:54 -05:00 |
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e3a892ccd7
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Start unittests for MPI load balancing
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2021-03-04 10:10:58 -05:00 |
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7b4034d07a
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reformat. compute/check some molecule properties
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2021-03-02 23:05:27 -05:00 |
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c44dbc567d
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tweak test for creating atoms and bond from a molecule file
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2021-03-02 22:41:09 -05:00 |
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6ab8de58bc
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add a few more tests
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2021-03-02 22:26:40 -05:00 |
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