Commit Graph

665 Commits

Author SHA1 Message Date
8ccd3c03fa Correct test name 2020-09-16 12:54:36 -04:00
2270d8f4ec Add PyLammps.atoms test and fix bug with -echo screen/both 2020-09-16 12:48:20 -04:00
9cdd35e625 Make sure Python tests run unbuffered so PyLammps works 2020-09-16 11:28:38 -04:00
f7a939dec2 update atom_style tester for new jacobi implementation 2020-09-16 10:25:03 -04:00
ca24806f4c Add tests 2020-09-16 10:11:00 -04:00
981d60f1bd update rigid tests for new eigensolver 2020-09-15 22:47:52 -04:00
48ad860889 only do Zstd tests if it is enabled/found. 2020-09-15 22:47:10 -04:00
cf7d2109a3 Merge branch 'library-progguide' into symbolic-atom-constants 2020-09-15 19:50:18 -04:00
a3765eb75b Merge branch 'master' into library-progguide 2020-09-15 18:58:29 -04:00
0f6a34775c Merge branch 'master' into symbolic-atom-constants 2020-09-15 17:44:31 -04:00
e5e449795a Add tests for has_style and available_styles 2020-09-15 15:16:19 -04:00
618b08dcfc Merge branch 'master' into symbolic-atom-constants 2020-09-15 14:58:13 -04:00
3dd3c6a2a5 redo fix for class member shadowing while avoiding overflowing levels 2020-09-15 14:48:55 -04:00
2165f6ed38 Merge pull request #2363 from akohlmey/consistent-memory-usage
Make memory usage reporting consistent
2020-09-15 14:21:07 -04:00
b5832191d8 Merge pull request #2364 from akohlmey/force-test-bugfix
Force style unit test template bugfix
2020-09-15 13:40:13 -04:00
2f3c916a57 add unit test for lammps_memory_usage() 2020-09-15 12:29:03 -04:00
165444004e Merge pull request #2362 from akohlmey/library-progguide
Updates to C-Library interface progammer guide and reference
2020-09-15 11:51:02 -04:00
4a48ce76b8 Merge remote-tracking branch 'origin/master' into python_interface_guide 2020-09-15 11:34:16 -04:00
c6bc21febf Merge pull request #2361 from akohlmey/collected-small-changes
Collected small changes for the next patch release
2020-09-15 11:28:25 -04:00
b20b234ebe Merge remote-tracking branch 'origin/master' into python_interface_guide 2020-09-15 10:45:28 -04:00
e30864431f add test for missing quartic bond style 2020-09-15 10:12:18 -04:00
238730b13d update epsilon 2020-09-15 09:55:58 -04:00
c6b6369d2d fix bug in input script templates that would have the timestep setting overwritten by a units command 2020-09-15 09:46:57 -04:00
bc31486fd1 start tests for lammps_extract_global() 2020-09-15 09:27:07 -04:00
d27d4912af test lammps_extract_settings() 2020-09-14 20:53:19 -04:00
1e54a9fcf1 complete tests for extracting and resetting the box 2020-09-14 20:27:29 -04:00
5c7f67201b make naming more consistent 2020-09-14 20:27:10 -04:00
93bd851ab0 fix typo 2020-09-14 17:39:31 -04:00
a1b2f82107 test for exceptions add example 2020-09-14 17:01:28 -04:00
4185608e92 complete testing for LAMMPS configuration queries 2020-09-14 14:56:56 -04:00
b455812434 more tests for properties and configuration 2020-09-14 14:25:17 -04:00
f4601235c9 add tests for lammps configuration introspection via library interface 2020-09-14 12:17:24 -04:00
2438f38afc skip test if atom style is missing 2020-09-13 17:12:21 -04:00
a2fc33b419 update c-library tests 2020-09-13 17:02:32 -04:00
fcb38354dc import adapted example input deck 2020-09-13 16:47:29 -04:00
39255da6ae use common main function that allows handling of common command line flags. 2020-09-13 16:46:59 -04:00
69962b4de5 add test for MSM kspace without periodic boundaries 2020-09-12 11:10:38 -04:00
47b3039b28 update unit tests, too 2020-09-11 19:24:32 -04:00
77d475d121 Add more tests 2020-09-11 15:48:23 -04:00
58833ce11e Add API tests 2020-09-11 15:21:36 -04:00
1855f92694 Use include and omit 2020-09-11 12:44:41 -04:00
377163d940 Add target to generate Python coverage XML 2020-09-11 11:36:22 -04:00
97000fa016 Merge remote-tracking branch 'origin/master' into python_interface_guide 2020-09-11 09:48:28 -04:00
e813e2d30a add minimal unit test for lammps_get_mpi_comm() API 2020-09-09 22:12:47 -04:00
f4c4c62349 adjust test to updated API 2020-09-09 09:27:34 -04:00
a3cc7581b1 rename test for memory pools 2020-09-08 15:12:08 -04:00
0ee7c5f434 add more MyPage test variants 2020-09-07 15:27:13 -04:00
ab5c81f7d6 refactor some more to reduce redundant code. 2020-09-07 08:57:37 -04:00
bbb81a8dd0 add unit tester for MyPage class 2020-09-07 08:33:05 -04:00
64728678f1 Merge branch 'python_interface_guide' of github.com:rbberger/lammps into python_interface_guide 2020-09-04 17:15:58 -04:00