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6909bc234a
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Merge pull request #2700 from rbberger/python_calls_refactor
Python package refactor
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2021-04-07 13:35:53 -04:00 |
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b6776ca3de
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Remove GCC optimization pragma for GCC < 4.9 due to compiler segfault
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2021-04-06 16:48:18 -04:00 |
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5af294d49e
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Update test_potential_file_reader.cpp
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2021-04-06 16:47:06 -04:00 |
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7e57d6a334
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add tests for "rerun"
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2021-04-05 16:01:27 -04:00 |
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e00e2676fc
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add tests for utils::open_potential()
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2021-04-04 22:23:13 -04:00 |
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66e885b6e5
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Merge branch 'master' into collected-small-changes
# Conflicts:
# src/USER-YAFF/pair_lj_switch3_coulgauss_long.cpp
# src/USER-YAFF/pair_mm3_switch3_coulgauss_long.cpp
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2021-04-02 17:57:54 -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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213fc06321
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Add GzFileWriter implementation
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2021-03-29 18:05:04 -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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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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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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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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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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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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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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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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16631a0c18
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add tests for one file with two molecules and two files with one each
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2021-03-02 15:54:06 -05:00 |
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e3942a0d48
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update test to use stdio consistently
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2021-03-02 12:53:15 -05:00 |
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e4ce1de66b
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add "death tests" for no molecule file and molecule file w/o atoms
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2021-03-02 12:16:12 -05:00 |
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861ad834c6
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fix typo
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2021-03-02 11:22:43 -05:00 |
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01a32b67b0
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add minimal unit test program for molecule files
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2021-03-02 11:07:03 -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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21c3a51557
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skip unsupported GCC pragma
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2020-12-15 20:47:40 -05:00 |
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e0c87fc0b6
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Merge pull request #2419 from akohlmey/reset-invalid-image-flags
Reset invalid image flags on read_data
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2020-11-30 12:53:50 -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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4a8c458634
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Update comment
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2020-11-13 17:21:41 -05:00 |
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bfd71f330b
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Simplify other AtomStyles tests
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2020-11-13 17:03:52 -05:00 |
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5d79ba12d7
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Use macro for better message during failure
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2020-11-13 15:14:40 -05:00 |
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504e675023
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Splitting up long test methods
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2020-11-13 13:21:49 -05:00 |
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e6c844d719
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Simplify template and template_charge test cases
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2020-11-13 13:11:16 -05:00 |
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00557e00a4
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Add AtomState struct and ASSERT helpers
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2020-11-13 12:35:25 -05:00 |
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a96cb43957
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Merge branch 'master' into reset-invalid-image-flags
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2020-11-11 16:15:11 -05:00 |
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26a8d875e9
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whitespace fix
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2020-10-29 14:52:22 -04:00 |
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f2b9db0de4
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update atom style tester to test replicate for atom style template
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2020-10-29 06:21:54 -04:00 |
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bf87c0dc56
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add (incomplete) unit test for atom style template
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2020-10-28 15:43:36 -04:00 |
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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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