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d3b2ccf9dd
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numpy version of neighbor list tests
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2021-04-02 21:41:26 -04:00 |
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85a5698c1b
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add find method to neighbor list wrapper classes
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2021-04-02 21:41:08 -04:00 |
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c74bb9b56b
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add more unit tests for neighbor list access
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2021-04-02 21:00:26 -04:00 |
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21c934d2cd
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Merge pull request #2682 from rbberger/python_unittests
Python package unit tests
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2021-04-01 10:11:26 -04:00 |
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e0aec1b5d9
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remove obsoleted comment
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2021-04-01 09:39:17 -04:00 |
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180d2895c4
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Merge pull request #2678 from akohlmey/collected-small-changes
Collected small changes and fixes
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2021-03-29 14:05:08 -04:00 |
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029db1413e
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Add missing verbose after merge
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2021-03-25 21:01:32 -04:00 |
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439bc4bb8e
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Merge remote-tracking branch 'origin/master' into python_unittests
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2021-03-25 20:58:28 -04:00 |
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cb25e4aa39
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Add nve respa testcase for python/move
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2021-03-25 20:34:25 -04:00 |
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a193d9d429
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fix several issues when using extract_global() from python exposed by tests
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2021-03-25 20:34:25 -04:00 |
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b8f02d759a
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add support for extracting respa levels and timestep values
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2021-03-25 20:34:25 -04:00 |
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e0fdd2ad89
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correct lammps.extract_global() method for returned arrays which are returned as list
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2021-03-25 20:34:24 -04:00 |
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47b7653d4d
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Merge pull request #2653 from rbberger/code_coverage
Add tests to increase code coverage
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2021-03-24 20:57:46 -04:00 |
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3c41c12dbc
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Add testcase for python/move
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2021-03-24 18:58:46 -04:00 |
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4fa5ce2dbc
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Remove unnecessary import
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2021-03-24 18:11:31 -04:00 |
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81e8676c7e
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Prepare python/move unittest
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2021-03-24 17:15:07 -04:00 |
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45191e9f7c
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Refactor and add fix python/invoke tests
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2021-03-24 16:33:39 -04:00 |
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b15502ddc8
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Add utils::split_lines
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2021-03-24 15:53:00 -04:00 |
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1c9c46d2c1
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Add tests to cover python command
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2021-03-24 15:42:38 -04:00 |
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9d3e37b102
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Add more python variable tests
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2021-03-24 12:43:47 -04:00 |
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8790ecc141
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Refactor existing tests
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2021-03-24 11:18:21 -04:00 |
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23c8d8ccfb
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Use HasSubstr since output order is dependent on buffering
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2021-03-23 20:13:39 -04:00 |
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359a369573
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Ensure that global Py_UnbufferedStdioFlag is set when PYTHONUNBUFFERED=1
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2021-03-23 19:57:45 -04:00 |
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6b24006d43
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Use Info::has_package to check for PYTHON support
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2021-03-23 19:56:18 -04:00 |
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180e816886
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Simplify PythonPackage tests
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2021-03-23 19:55:08 -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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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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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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