25 Commits

Author	SHA1	Message	Date
Anthony Scemama	4e8efef264	Added ScreenedERI	2020-02-17 19:45:53 +01:00
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	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	03c5d1d64a	Introduced PrimitiveShellPair	2018-03-15 18:31:58 +01:00
Anthony Scemama	c3287c6368	Cleaning ContractedShellPair	2018-03-14 14:39:22 +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	e1da54cd67	Working on documenation	2018-02-23 18:41:30 +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	ade45cd49d	A lot of cleaning	2018-02-13 17:36:25 +01:00
Anthony Scemama	365735d111	Working on contraction	2018-02-09 20:18:53 +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	8b1b260c90	All one- and two- electron integrals OK	2018-02-06 17:39:14 +01:00