24 Commits

Author	SHA1	Message	Date
Anthony Scemama	b72a1e251e	Added Hartree-Fock guess with projection	2019-03-04 19:01:54 +01:00
Anthony Scemama	4f41af9e31	Four-idx transformation	2018-07-20 16:10:20 +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	5ed5d91a9d	Introduced shell pair couples	2018-03-21 17:28:13 +01:00
Anthony Scemama	0da6453453	Cleaning	2018-03-20 15:16:24 +01:00
Anthony Scemama	5d73ec5144	ContractedAtomicShell	2018-03-20 14:11:31 +01:00
Anthony Scemama	7cccb60549	ShellPair option	2018-03-15 19:35:10 +01:00
Anthony Scemama	786b680f40	ContractedShell has now a hidden type	2018-03-13 18:56:28 +01:00
Anthony Scemama	e54a5e034a	Hash table for zkey_array	2018-03-13 18:24:00 +01:00
Anthony Scemama	47a85dec71	CLeaning Zkey	2018-02-25 01:40:12 +01:00
Anthony Scemama	24d2eb7e47	Documentation	2018-02-25 00:53:09 +01:00
Anthony Scemama	8918f49302	Documentation	2018-02-24 23:57:38 +01:00
Anthony Scemama	d7d018b3ea	Cleaning	2018-02-23 16:40:35 +01:00
Anthony Scemama	5fd94119f6	Working on HF	2018-02-21 17:06:24 +01:00
Anthony Scemama	34edda6317	Working {x;y;z;tot}	2018-02-19 17:32:44 +01:00
Anthony Scemama	730f6a9e3f	Introduces Simulation	2018-02-09 00:37:25 +01:00
Anthony Scemama	eeb4f9f52c	Introducing contracted shell pairs	2018-02-07 17:07:05 +01:00
Anthony Scemama	5b4d49773d	Documentation	2018-02-06 18:12:19 +01:00
Anthony Scemama	cccf8d40b0	Fixed Overlap	2018-02-06 16:33:28 +01:00
Anthony Scemama	2877a9d492	Nuclear Integrals OK	2018-02-06 12:02:00 +01:00
Anthony Scemama	db46395e4e	Working on Nuc	2018-02-05 23:31:46 +01:00
Anthony Scemama	6b83e80572	Working on Nuclear ints	2018-02-04 23:46:06 +01:00
Anthony Scemama	925cdf693f	Working on Nuclear integrals	2018-02-03 23:26:20 +01:00