11 Commits

Author	SHA1	Message	Date
Anthony Scemama	a2750bb55c	Revert "merge with main branch"	2017-04-20 08:48:06 +02:00
Emmanuel Giner	3e12b2f359	Handling of two different mo and ao integrals map	2017-04-17 12:41:00 +02:00
Emmanuel Giner	1df5dced1e	KS LDA is okay	2017-04-14 17:33:35 +02:00
Emmanuel Giner	5b8175e818	DFT begins to work with lda	2017-04-14 12:50:27 +02:00
Emmanuel Giner	226ca23af8	DFT integration works for non overlapping densities	2017-04-14 01:16:21 +02:00
Emmanuel Giner	b0a3c73b89	fixed the factor 2 in lebedev	2017-04-13 18:32:14 +02:00
Emmanuel Giner	03c50ebd2f	merged with toto	2017-04-13 16:27:08 +02:00
Emmanuel Giner	dab0f90731	beginning to debug dft	2017-04-13 14:55:10 +02:00
Emmanuel Giner	a0d5869054	Modifs of fobo-scf	2016-07-16 16:09:50 +02:00
Emmanuel Giner	e50cfeee02	Integration for DFT seems to be ok, but need to improve the angular part	2016-04-21 23:59:50 +02:00
Emmanuel Giner	e432c470a1	begin DFT in qp	2016-04-17 23:30:04 +02:00