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ef3b01f340
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add neighbor list access tests. now we can always test for a full list.
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2022-10-03 18:14:08 -04:00 |
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ec46510d2e
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add local extract_compute() tests
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2022-06-20 23:07:01 -04:00 |
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389c35a2d3
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use alternate method to create triclinic box for unit test
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2022-01-18 09:09:37 -05:00 |
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f783958e39
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add test for create_atoms()
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2021-10-26 12:11:28 -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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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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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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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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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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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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5dacfc47ca
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Change return type of lammps.get_natoms to int
Closes PR #2370
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2020-09-17 10:57:49 -04:00 |
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69cffb2d04
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import test infrastructure for c, c++ and python library usage
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2020-08-25 11:03:31 -04:00 |
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