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887eb40ad4
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fix crash when requesting verbose output.
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2021-04-02 12:07:59 -04:00 |
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2dfafe4adb
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add is_file() special variable function and unit tests for it
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2021-04-02 12:07:43 -04:00 |
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c3eb52f46a
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add force tests for USER-YAFF pair styles
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2021-04-01 12:43:24 -04:00 |
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3668ce1374
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Merge branch 'master' into more-unittests
# Conflicts:
# unittest/testing/core.h
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2021-04-01 11:11:18 -04:00 |
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0b60650c1b
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Merge branch 'master' into collected-small-changes
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2021-04-01 10:11:59 -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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eea2f45a95
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force newton bond to be on since we don't support it to be off (yet)
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2021-03-30 17:19:28 -04:00 |
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20e6174e59
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cannot use tokenizer for parse_args() as the search for commata must be away of parenthesis
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2021-03-29 21:11:07 -04:00 |
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213fc06321
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Add GzFileWriter implementation
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2021-03-29 18:05:04 -04:00 |
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ddaeabf4d3
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Merge branch 'more-unittests' of github.com:akohlmey/lammps into more-unittests
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2021-03-29 16:18:38 -04:00 |
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ea808b8563
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Merge branch 'master' into more-unittests
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2021-03-29 15:27:26 -04:00 |
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6f986eee4e
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Add missing changes
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2021-03-29 15:01:29 -04:00 |
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aaf9aa6d69
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Refactoring of more tests
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2021-03-29 14:27:42 -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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1752bd0276
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Refactoring of some test files
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2021-03-26 12:23:58 -04:00 |
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664335420a
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Start refactoring tests
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2021-03-26 11:50:58 -04:00 |
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b1efdda75c
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Merge remote-tracking branch 'origin/master' into more-unittests
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2021-03-26 11:35:22 -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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4efe60ec43
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compatibility with older CMake versions
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2021-03-25 17:14:57 -04:00 |
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28ac1fddc7
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add tests for fix adapt with pairwise and coulomb interactions
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2021-03-25 14:20:44 -04:00 |
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6d6e2a7920
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add simple check whether the compiled executable can actually run
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2021-03-24 21:51:55 -04:00 |
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a772c3b7d2
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test a few more functions and constants
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2021-03-24 21:27:32 -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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d04d326413
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more tests for expressions and vector style variables
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2021-03-24 18:02:30 -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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aab51fe70e
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more coverage of utility functions in Variable class
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2021-03-24 16:47:56 -04:00 |
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157698543f
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add tests for "next" command
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2021-03-24 16:47:08 -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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407212153f
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create more variables of different styles
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2021-03-24 15:14:58 -04:00 |
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cc54f553e0
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complete tests for if command booleans
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2021-03-24 14:35:48 -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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51946205ce
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add YAML files for MLIAP nn and quadratic snap model input
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2021-03-24 12:26:07 -04:00 |
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487c55edf0
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simplify and apply clang-format
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2021-03-24 11:24:55 -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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b6a030532d
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add tests for boolean evaluation in "if" command
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2021-03-24 10:33:00 -04:00 |
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67f1f12c20
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more tests for expressions
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2021-03-23 21:42:45 -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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