25 Commits

Author	SHA1	Message	Date
Anthony Scemama	f865181e9e	Updated run_integrals	2020-01-17 10:51:11 +01:00
Anthony Scemama	0462e19117	Removed duplicated code	2019-10-24 11:25:49 +02:00
Anthony Scemama	d1efe67e5a	Working on f12.	2019-05-07 17:00:44 +02:00
Anthony Scemama	0e34c3adca	Separated 4, 3 and 2-idx integrals	2019-04-05 14:36:47 +02:00
Anthony Scemama	bb0b52f4ea	F12 integrals	2019-03-13 22:02:08 +01:00
Anthony Scemama	ecf61058f9	S2 is programmed in CI	2019-02-22 19:19:11 +01:00
Anthony Scemama	ccb4967993	Cleaned AO Basis	2019-02-20 18:24:44 +01:00
Anthony Scemama	8454863e91	Cleaned simulation	2019-02-20 18:15:15 +01:00
Anthony Scemama	9e5933f0d0	Introduced AOBasis	2018-06-13 17:49:58 +02:00
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	90481d296b	TRR and Gc	2018-02-22 01:38:47 +01:00
Anthony Scemama	0455da3b46	Nuclear repulsion	2018-02-20 23:54:48 +01:00
Anthony Scemama	730f6a9e3f	Introduces Simulation	2018-02-09 00:37:25 +01:00
Anthony Scemama	8b1b260c90	All one- and two- electron integrals OK	2018-02-06 17:39:14 +01:00
Anthony Scemama	666a4f4f69	Fixed ERI	2018-02-06 15:49:17 +01:00
Anthony Scemama	db46395e4e	Working on Nuc	2018-02-05 23:31:46 +01:00
Anthony Scemama	925cdf693f	Working on Nuclear integrals	2018-02-03 23:26:20 +01:00
Anthony Scemama	9c9fc0a9e6	Small optimizations	2018-01-30 14:51:37 +01:00
Anthony Scemama	4a4809fc7e	Inserted overlap	2018-01-22 23:19:24 +01:00
Anthony Scemama	bba7b6e8e4	Optimizations	2018-01-19 20:20:19 +01:00
Anthony Scemama	73c8e48731	Optimized ERIs	2018-01-19 03:14:06 +01:00
Anthony Scemama	e3e16bd5bd	Pretty printing	2018-01-18 17:39:10 +01:00
Anthony Scemama	72eb1ce5c3	Added Angstrom	2018-01-18 14:56:08 +01:00
Anthony Scemama	0687671098	Working on input	2018-01-18 00:21:05 +01:00