7 Commits

Author	SHA1	Message	Date
Anthony Scemama	4f41af9e31	Four-idx transformation	2018-07-20 16:10:20 +02:00
Anthony Scemama	4dec632e5a	Introduced difference of Fock matrices for SCF convergence	2018-07-04 19:23:19 +02:00
Anthony Scemama	c1a53f40e8	Added MatrixOnBasis	2018-06-13 19:03:42 +02:00
Anthony Scemama	9e5933f0d0	Introduced AOBasis	2018-06-13 17:49:58 +02:00
Anthony Scemama	63f0b379de	Accelerated FourIdxStorage	2018-06-01 10:26:22 +02:00
Anthony Scemama	e81a48dc73	Huckel guess and DIIS OK	2018-05-31 17:48:54 +02:00
Anthony Scemama	3482e02695	Working on DIIS	2018-05-31 16:46:45 +02:00