15 Commits

Author	SHA1	Message	Date
tvv28669	a1424b30cd	Add base phonopy yaml interface unittest.	2020-01-29 16:32:20 +00:00
Atsushi Togo	5488053da6	Fix some tests	2019-11-25 17:02:54 +09:00
Tiziano Müller	8fd9c1a26e	test/interface: add test for parsing CP2K input	2019-10-10 11:10:22 +02:00
Antti Karttunen	25cc8b5ac2	Improve TURBOMOLE interface to accept coordinates embedded in the control file. ... This makes it also easier to test TURBOMOLE in the unit test.	2019-03-26 09:53:23 +02:00
Atsushi Togo	4e913fa217	Deactivate the test for TURBOMOLE	2019-03-26 13:12:16 +09:00
Antti Karttunen	731381025c	TURBOMOLE interface, including example, test, and documentation.	2019-03-25 00:11:03 +02:00
Atsushi Togo	de087aeb9a	BAND = AUTO was implemented and phonopy.load was augmented.	2018-11-22 12:45:32 +09:00
Atsushi Togo	b76cb12b50	Return PhonopyYaml to phonopy.interface.phonopy_yaml by making physical_units as class argument to avoid ciclic import	2018-11-20 23:24:54 +09:00
Atsushi Togo	4f58c9c167	Calculator dependent codes were moved to phonopy.interface	2018-11-20 22:57:51 +09:00
Atsushi Togo	21a99a5a47	Update test scripts and setup.py for python setup.py tset	2018-07-31 10:41:07 +09:00
Atsushi Togo	08f9bec9ff	Move tests from test/phonopy/* test/	2018-07-31 09:37:00 +09:00
Atsushi Togo	83355c6793	Make directories and move files	2015-11-13 16:01:35 +09:00
Atsushi Togo	6fc98dedc3	Phonopy YAML mode is created. This mode is currently just to replace VASP mode crystal structure reading by phonopy YAML crystal structure reading.	2015-08-30 11:27:40 +09:00
Atsushi Togo	be66b56f0e	PhonopyYaml interface and its test	2015-08-30 10:38:56 +09:00
Atsushi Togo	4480b89cb9	Test for PhonopyAtoms	2015-08-30 10:38:29 +09:00