12 Commits

Author	SHA1	Message	Date
Priyanka Seth	ff6dd7ce73	[API] Changed form of shells and corr_shells to list of dicts.	2014-11-26 17:37:57 +01:00
Priyanka Seth	376d9b3693	Fix #23 : repack error, add path to hdf5	2014-11-19 18:50:53 +01:00
Priyanka Seth	84bd1ed655	Allow for hdf filename that differs from dft data basename	2014-11-19 16:38:52 +01:00
Priyanka Seth	88f4105e5b	Renamed everything from 'lda' to 'dft'	2014-11-18 11:44:14 +01:00
Priyanka Seth	518cbccd8c	Write shell equivalency information directly into h5 at conversion ... * changed shellmap and invshellmap to corr_to_inequiv and inequiv_to_corr * update_archive now calculates and stores these quantities for old archives	2014-11-16 18:03:53 +01:00
Priyanka Seth	a7f2a5096f	Move repeated converter functions in converter_tools.py	2014-11-14 09:41:03 +01:00
Priyanka Seth	8bbbe81c7d	Converters clean up, new subgroup names ... * Provided script update_archive.py to convert old h5 archives. * Fixed all tests	2014-11-05 15:56:40 +01:00
Priyanka Seth	9793daf86b	Change execs to setattr, getattr, etc	2014-11-05 15:56:33 +01:00
Priyanka Seth	906398894a	Changes to old interface files to comply with new gf_struct ... Minor tidy-up too.	2014-09-22 19:27:27 +02:00
aichhorn	4fb1f67645	bugfixes in hk_converter	2014-04-03 14:34:36 +02:00
aichhorn	3f5ce764a7	Added more flexible H(k) reading	2014-04-02 18:36:48 +02:00
aichhorn	e10c48e106	Added first draft of general converter to handle general H(k) ... Added also routine to rotate basis sets	2014-04-02 17:54:31 +02:00