12 Commits

Author	SHA1	Message	Date
Emmanuel Giner	80cf1472ca	added the two body dm alpha beta	2016-04-04 17:28:49 +02:00
Emmanuel Giner	7c01f2c003	moved Molden/aos.irp.f in AO_Basis/aos.irp.f	2016-03-15 01:16:24 +01:00
Anthony Scemama	6b3ba6a99e	Fixed QMCPACK bugs (Issue #154)	2016-03-07 20:13:43 +01:00
Emmanuel Giner	19e276fc0d	added the mulliken and hyperfine coupling constants analysis	2016-02-16 18:32:53 +01:00
Anthony Scemama	8a566b1e63	Implemented Spherical AOs	2016-01-27 00:19:08 +01:00
Anthony Scemama	ae9599c601	Added qmcpack module	2016-01-19 17:06:57 +01:00
Anthony Scemama	06cada2d92	Minor changes in tests	2016-01-06 20:53:40 +01:00
Anthony Scemama	b72c8a03f6	Improved tests	2016-01-05 01:04:52 +01:00
Anthony Scemama	13857ccebe	Using normalized atomic basis functions now	2015-12-11 14:32:41 +01:00
Thomas Applencourt	ef82cdf124	Remove 100 ligne, now generated by AO_Basis/EZFIO.cfg	2015-07-03 10:35:17 +02:00
Thomas Applencourt	a94d3e0e95	AO provider	2015-07-02 16:52:34 +02:00
Thomas Applencourt	90bec251cb	Rename module AOs MOs into {}_Basis	2015-06-24 10:32:12 +02:00