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2c6fe2d0b5
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add tests for the overloaded constructor using a file pointer
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2021-04-26 12:12:45 -04:00 |
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e6f57cdf2c
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minor tweaks
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2021-04-24 07:21:29 -04:00 |
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e980d17882
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reuse existing code. add tests for write_data
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2021-04-24 07:14:04 -04:00 |
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2c4017d3ac
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add test for write_dump cfg
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2021-04-24 07:13:26 -04:00 |
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6a9b441331
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add tests for writing restart files
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2021-04-24 01:22:23 -04:00 |
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8c50f56548
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add unit test for TextFileReader class
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2021-04-24 00:31:46 -04:00 |
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a6efdf9b9f
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Clean up molecule files creation
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2021-04-19 15:14:01 -04:00 |
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bc4b4147ef
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Avoid filename collisions with AtomStyles test
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2021-04-19 14:57:41 -04:00 |
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dba3cce883
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Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option
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2021-04-12 20:03:58 -04:00 |
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47814292a1
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Make dump cfg/gz, cfg/zstd compatible to 'buffer no' option
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2021-04-12 19:57:27 -04:00 |
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e5ee210f58
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Make dump atom/gz, atom/zstd compatible to 'buffer no' option
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2021-04-09 18:02:55 -04:00 |
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242881af55
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Make dump custom/gz, custom/zstd compatible to 'buffer no' option
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2021-04-09 17:46:59 -04:00 |
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511f64fde4
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Update dump custom/gz
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2021-04-09 16:36:30 -04:00 |
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c17ee12989
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Update dump xyz/gz
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2021-04-09 15:57:17 -04:00 |
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cf41ea6faf
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Update dump local and local/gz
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2021-04-09 15:42:28 -04:00 |
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d19cd8fb11
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Fix test
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2021-04-09 14:49:45 -04:00 |
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dc71d80306
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Add dump local tests
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2021-04-09 14:49:07 -04:00 |
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2682663df6
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Use GzFileWriter in dump cfg/gz
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2021-04-09 11:41:45 -04:00 |
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7b53ce572c
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Merge branch 'master' into compress_package
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2021-04-09 10:58:39 -04:00 |
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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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