11 Commits

Author	SHA1	Message	Date
Anthony Scemama	aec8128889	Better guess	2019-03-05 01:12:13 +01:00
Anthony Scemama	c9c039c2fe	Improved Huckel guess	2019-03-05 00:55:08 +01:00
Anthony Scemama	b72a1e251e	Added Hartree-Fock guess with projection	2019-03-04 19:01:54 +01:00
Anthony Scemama	b83b23913e	ROHF OK	2019-02-26 12:05:14 +01:00
Anthony Scemama	ccb4967993	Cleaned AO Basis	2019-02-20 18:24:44 +01:00
Anthony Scemama	955f9d014b	Added tests for AOBasis	2018-07-05 00:39:44 +02:00
Anthony Scemama	125e5dac4c	Introduced Alcotest	2018-07-04 20:24:57 +02:00
Anthony Scemama	e4a3e1da97	Fixed overflow in Boys function	2018-06-27 13:13:59 +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	3482e02695	Working on DIIS	2018-05-31 16:46:45 +02:00