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9fa43b8b12
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Skip Numpy tests if not installed
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2020-09-17 12:03:36 -04:00 |
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0522e3d7b6
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a few more unittest tweaks
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2020-09-17 11:11:44 -04:00 |
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00641f9f24
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relax epsilon a little for passing cross-platform tests
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2020-09-17 11:01:59 -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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e2fc70da62
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Merge branch 'master' into collected-small-changes
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2020-09-17 06:51:21 -04:00 |
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b9919b72d7
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make MSM test w/o PBC run faster
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2020-09-16 23:36:17 -04:00 |
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b176cdf28c
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remove trailing whitespace
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2020-09-16 18:18:53 -04:00 |
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a8a9fb6eb8
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adapt unit test for Jacobi class
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2020-09-16 18:17:23 -04:00 |
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12582edfb7
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Add numpy.extract_atom_darray test
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2020-09-16 18:04:45 -04:00 |
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c82df186b5
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Disable zstd tests if library is too old
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2020-09-16 15:18:28 -04:00 |
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ccc743e13e
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Add test for thermo data
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2020-09-16 15:14:05 -04:00 |
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0931cdd109
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relax epsilon for rigid body integrators
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2020-09-16 14:07:28 -04:00 |
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8ccd3c03fa
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Correct test name
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2020-09-16 12:54:36 -04:00 |
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2270d8f4ec
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Add PyLammps.atoms test and fix bug with -echo screen/both
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2020-09-16 12:48:20 -04:00 |
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9cdd35e625
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Make sure Python tests run unbuffered so PyLammps works
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2020-09-16 11:28:38 -04:00 |
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f7a939dec2
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update atom_style tester for new jacobi implementation
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2020-09-16 10:25:03 -04:00 |
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ca24806f4c
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Add tests
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2020-09-16 10:11:00 -04:00 |
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981d60f1bd
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update rigid tests for new eigensolver
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2020-09-15 22:47:52 -04:00 |
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48ad860889
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only do Zstd tests if it is enabled/found.
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2020-09-15 22:47:10 -04:00 |
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cf7d2109a3
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Merge branch 'library-progguide' into symbolic-atom-constants
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2020-09-15 19:50:18 -04:00 |
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a3765eb75b
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Merge branch 'master' into library-progguide
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2020-09-15 18:58:29 -04:00 |
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0f6a34775c
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 17:44:31 -04:00 |
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e5e449795a
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Add tests for has_style and available_styles
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2020-09-15 15:16:19 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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3dd3c6a2a5
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redo fix for class member shadowing while avoiding overflowing levels
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2020-09-15 14:48:55 -04:00 |
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2165f6ed38
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Merge pull request #2363 from akohlmey/consistent-memory-usage
Make memory usage reporting consistent
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2020-09-15 14:21:07 -04:00 |
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b5832191d8
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Merge pull request #2364 from akohlmey/force-test-bugfix
Force style unit test template bugfix
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2020-09-15 13:40:13 -04:00 |
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2f3c916a57
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add unit test for lammps_memory_usage()
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2020-09-15 12:29:03 -04:00 |
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165444004e
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Merge pull request #2362 from akohlmey/library-progguide
Updates to C-Library interface progammer guide and reference
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2020-09-15 11:51:02 -04:00 |
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4a48ce76b8
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 11:34:16 -04:00 |
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c6bc21febf
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Merge pull request #2361 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-09-15 11:28:25 -04:00 |
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b20b234ebe
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 10:45:28 -04:00 |
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e30864431f
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add test for missing quartic bond style
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2020-09-15 10:12:18 -04:00 |
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238730b13d
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update epsilon
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2020-09-15 09:55:58 -04:00 |
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c6b6369d2d
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fix bug in input script templates that would have the timestep setting overwritten by a units command
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2020-09-15 09:46:57 -04:00 |
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bc31486fd1
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start tests for lammps_extract_global()
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2020-09-15 09:27:07 -04:00 |
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d27d4912af
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test lammps_extract_settings()
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2020-09-14 20:53:19 -04:00 |
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1e54a9fcf1
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complete tests for extracting and resetting the box
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2020-09-14 20:27:29 -04:00 |
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5c7f67201b
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make naming more consistent
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2020-09-14 20:27:10 -04:00 |
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93bd851ab0
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fix typo
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2020-09-14 17:39:31 -04:00 |
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a1b2f82107
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test for exceptions add example
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2020-09-14 17:01:28 -04:00 |
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4185608e92
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complete testing for LAMMPS configuration queries
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2020-09-14 14:56:56 -04:00 |
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b455812434
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more tests for properties and configuration
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2020-09-14 14:25:17 -04:00 |
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f4601235c9
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add tests for lammps configuration introspection via library interface
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2020-09-14 12:17:24 -04:00 |
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2438f38afc
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skip test if atom style is missing
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2020-09-13 17:12:21 -04:00 |
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a2fc33b419
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update c-library tests
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2020-09-13 17:02:32 -04:00 |
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fcb38354dc
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import adapted example input deck
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2020-09-13 16:47:29 -04:00 |
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39255da6ae
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use common main function that allows handling of common command line flags.
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2020-09-13 16:46:59 -04:00 |
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69962b4de5
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add test for MSM kspace without periodic boundaries
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2020-09-12 11:10:38 -04:00 |
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47b3039b28
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update unit tests, too
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2020-09-11 19:24:32 -04:00 |
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