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9af086916b
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skip GPU tests for a couple more tabulated coulomb tests
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2021-04-07 14:11:25 -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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932ea80b25
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update reference data for angle style cosine/periodic
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2021-04-06 18:39:37 -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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190a689354
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Merge branch 'master' into gpu-unittest
# Conflicts:
# unittest/force-styles/test_pair_style.cpp
# unittest/force-styles/tests/angle-cosine_periodic.yaml
# unittest/force-styles/tests/mol-pair-born.yaml
# unittest/force-styles/tests/mol-pair-born_coul_dsf.yaml
# unittest/force-styles/tests/mol-pair-born_coul_long.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm.yaml
# unittest/force-styles/tests/mol-pair-born_coul_msm_table.yaml
# unittest/force-styles/tests/mol-pair-born_coul_wolf.yaml
# unittest/force-styles/tests/mol-pair-morse.yaml
# unittest/force-styles/tests/mol-pair-morse_smooth_linear.yaml
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2021-04-06 14:45:06 -04:00 |
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698b9b9519
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relax epsilon some more
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2021-04-06 13:36:27 -04:00 |
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db400c91ae
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relax error a little bit to avoid failure on macos
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2021-04-06 11:37:59 -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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a858c07e8a
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add unit tests for empty id, invalid timespecs, and merge sort
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2021-04-04 21:51:48 -04:00 |
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67d4302fc7
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add tests for tokenizer skip() function and throwing an exception
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2021-04-04 21:51:06 -04:00 |
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d1b6aaa3f3
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plugins also have a .so suffix on MacOS (unlike shared libs)
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2021-04-04 20:57:29 -04:00 |
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7244ccf8b1
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update format
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2021-04-03 11:04:02 -04:00 |
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cfc39b5a73
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complete porting python neighborlist test to c-library version
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2021-04-03 10:44:07 -04:00 |
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1a48667026
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add minimal test for neighbor list functions
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2021-04-03 10:25:14 -04:00 |
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cea4298946
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silence LAMMPS output, if requested
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2021-04-03 10:25:03 -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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432ccffb3e
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find manybody potentials
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2021-04-03 10:23:31 -04:00 |
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50b789cc36
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Merge branch 'master' into neighlist-interface-updates
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2021-04-03 10:18:28 -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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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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b976c2d13c
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Merge pull request #2679 from akohlmey/more-unittests
Expand unit tests
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2021-04-02 17:51:29 -04:00 |
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2c00136f22
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used correct suffix when installing plugin binaries for testing
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2021-04-02 17:49:15 -04:00 |
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c62b1b1050
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Merge remote-tracking branch 'github/master' into collected-small-changes
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2021-04-02 16:08:51 -04:00 |
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c4f59764d4
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reformat pair_coeff section that got misformatted as string
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2021-04-02 15:28:09 -04:00 |
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e613da98d6
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Merge pull request #2650 from akohlmey/plugin-loader
New PLUGIN package with a LAMMPS plugin loader command
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2021-04-02 15:08:44 -04:00 |
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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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