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38eb0fa29d
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Python: add context manager implementation
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2021-05-10 18:42:27 -04:00 |
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f375aab2c5
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Correct test name
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2021-05-10 18:42:27 -04:00 |
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08471cb88e
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update path to updated log file
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2021-04-09 10:29:36 -04:00 |
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5520d6edd7
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confirm that no incompatible neighbor lists are found
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2021-04-03 10:24:46 -04:00 |
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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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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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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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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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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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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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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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f92089298d
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Fix bug in AvgChunkReader and add docs
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2021-02-25 16:56:19 -05:00 |
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977ba9ff66
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Add LogFile and AvgChunkFile readers
Implements changes proposed in #144
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2021-02-25 15:32:53 -05:00 |
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0c34810518
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lmp.mpi4py will always be false if LAMMPS has been compiled without MPI support
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2021-02-17 15:29:33 -05:00 |
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01a05b88b4
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avoid memory leak in unit test fixture
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2021-02-08 10:43:18 -05:00 |
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95b445a25a
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must initialized has_exceptions to avoid false positives in unit tests
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2021-01-29 18:38:33 -05:00 |
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a2d7d47cac
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add unittest for python interface of accelerator config introspection
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2021-01-16 17:12:29 -05:00 |
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fec52f6a48
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make CMake script formatting more consistent
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2020-12-29 10:40:39 -05:00 |
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79833f9b83
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Merge pull request #2521 from rbberger/python_package
Turn LAMMPS Python module into Python package
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2020-12-17 17:06:03 -05:00 |
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162d34d168
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Update Python coverage tests
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2020-12-15 17:58:41 -05:00 |
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2a763d1713
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PythonCommands test fails without exceptions enabled
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2020-12-15 15:00:31 -05:00 |
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91f21fcd9e
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Merge pull request #2487 from akohlmey/collected-small-changes
Collected small changes and fixes
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2020-11-30 11:36:23 -05:00 |
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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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7aa45ea816
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Add numpy variants of extract_variable tests
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2020-11-23 14:14:29 -05:00 |
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ebf3c180c2
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Add unit test for extract_global (LAMMPS_DOUBLE)
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2020-11-23 13:43:15 -05:00 |
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2ce10cc435
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Add unit test for get_thermo
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2020-11-23 13:35:17 -05:00 |
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3ddc1e680c
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Add unit test for extract_variable (atomstyle)
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2020-11-23 13:14:15 -05:00 |
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5ff0c3d4f0
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Add unit test for extract_variable (equalstyle)
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2020-11-23 13:07:00 -05:00 |
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d5169a9dc2
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Add Python unit tests for extract_box and reset_box
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2020-11-12 12:29:13 -05:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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8ab5f3c71a
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adjust recently added/expanded tests so they skip tests when packages are missing
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2020-10-13 15:42:21 -04:00 |
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24cec51e85
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add tests for using python invoke and python style variables
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2020-10-12 06:17:16 -04:00 |
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6cda1e16ae
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add test program template for testing the PYTHON package
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2020-10-12 02:40:02 -04:00 |
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471acb2ef8
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add unit tests for added APIs
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2020-10-09 07:16:34 -04:00 |
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22cca93603
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Add tests for neighbor list API
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2020-10-05 17:34:08 -04:00 |
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b57c8f6b77
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Add tests for LAMMPS exceptions in Python
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2020-10-02 16:53:41 -04:00 |
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7d07d04989
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Use correct library for unit test if LAMMPS_MACHINE_NAME is set
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2020-09-20 17:52:24 -04:00 |
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61ce73273b
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Add missing -u flag for unbuffered PyLammps tests
Addresses issue #2380
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2020-09-19 23:07:13 -04:00 |
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6dda562501
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skip over uninitialized and internal variables. correctly identify all kinds of boolean values
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2020-09-18 23:40:31 -04:00 |
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ab6b69d6bd
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Add documentation and better autodetect
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2020-09-17 16:39:19 -04:00 |
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