25 Commits

Author	SHA1	Message	Date
Anthony Scemama	acb2314be4	Adapt for Notebooks	2019-12-02 14:58:48 +01:00
Anthony Scemama	3874dd1d95	Moved 4-idx into FourIndex.mli	2019-03-21 00:44:10 +01:00
Anthony Scemama	4c5bade8fb	CAS+EN2 in the presence of auxiliary basis OK	2019-03-20 19:18:36 +01:00
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	8aaf6da208	Documentation and printing	2018-03-16 00:23:47 +01:00
Anthony Scemama	6a62b28145	Primitive Shell	2018-03-14 16:22:08 +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	7dba59e4cd	Removed gamess parser	2018-03-08 23:29:08 +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	a892f2f125	private type	2018-02-13 13:55:16 +01:00
Anthony Scemama	730f6a9e3f	Introduces Simulation	2018-02-09 00:37:25 +01:00
Anthony Scemama	5b4d49773d	Documentation	2018-02-06 18:12:19 +01:00
Anthony Scemama	4a4809fc7e	Inserted overlap	2018-01-22 23:19:24 +01:00
Anthony Scemama	60e374eb03	ERI tested with QP -> OK	2018-01-19 17:45:55 +01:00
Anthony Scemama	73c8e48731	Optimized ERIs	2018-01-19 03:14:06 +01:00
Anthony Scemama	932d5859fe	General RR module	2018-01-18 23:42:48 +01:00
Anthony Scemama	e3e16bd5bd	Pretty printing	2018-01-18 17:39:10 +01:00
Anthony Scemama	0687671098	Working on input	2018-01-18 00:21:05 +01:00
Anthony Scemama	97e4a09664	Cleaning	2018-01-17 19:22:30 +01:00
Anthony Scemama	dad44067f7	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
Anthony Scemama	9c51073bca	Introduced directory structure	2017-12-31 16:41:04 +01:00