23 Commits

Author	SHA1	Message	Date
Anthony Scemama	6b6dc3af24	mu_erf propagated from input	2020-05-08 01:12:31 +02:00
Anthony Scemama	29eb18bc19	Renamed mu_erf into range_separation	2020-05-08 00:33:43 +02:00
Anthony Scemama	a1c29fd3f1	Fix?	2020-04-14 15:53:07 +02:00
Anthony Scemama	4dccd121e0	Envoi Nico	2020-03-30 18:06:21 +02:00
Anthony Scemama	938935425f	Erf integrals correct, but mu needs to be checked	2020-03-26 19:49:29 +01:00
Anthony Scemama	9660eed87f	Preparing tests for Erf integrals	2020-03-26 16:24:41 +01:00
Anthony Scemama	0462e19117	Removed duplicated code	2019-10-24 11:25:49 +02:00
Anthony Scemama	0e34cde735	Generalized F12	2019-03-26 10:38:50 +01:00
Anthony Scemama	4c5bade8fb	CAS+EN2 in the presence of auxiliary basis OK	2019-03-20 19:18:36 +01:00
Anthony Scemama	8454863e91	Cleaned simulation	2019-02-20 18:15:15 +01:00
Anthony Scemama	56c8737019	Optimized parallel ERI	2018-10-23 14:37:02 +02:00
Anthony Scemama	1d4560418e	Hartree-Fock is parallel	2018-10-23 13:39:06 +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
Anthony Scemama	45d0c546ad	Spherical works	2018-05-30 01:15:45 +02:00
Anthony Scemama	57f8c0710c	Canonical orthogonalization OK in cart. TODO: spherical.	2018-05-28 19:58:40 +02:00
Anthony Scemama	7dba59e4cd	Removed gamess parser	2018-03-08 23:29:08 +01:00
Anthony Scemama	f95d9740b6	Documentation	2018-03-03 22:13:14 +01:00
Anthony Scemama	fd1b05c4ec	Removed TRR	2018-02-23 00:58:54 +01:00
Anthony Scemama	23389acfc8	Hartree-Fock OK	2018-02-22 18:20:45 +01:00
Anthony Scemama	5fd94119f6	Working on HF	2018-02-21 17:06:24 +01:00
Anthony Scemama	0455da3b46	Nuclear repulsion	2018-02-20 23:54:48 +01:00
Anthony Scemama	58a5ec1abc	Forgot file	2018-02-09 00:42:26 +01:00