18 Commits

Author	SHA1	Message	Date
Emmanuel Giner	eaa0764f55	added one_e_dm_ao	2021-09-20 14:04:09 +02:00
Anthony Scemama	8102d43aff	Removed internal reads in zmq	2021-03-31 13:36:42 +02:00
Anthony Scemama	c413f07691	Minor changes	2020-12-15 23:46:19 +01:00
Anthony Scemama	e838868181	Fixed Schwartz and added banned-excitations	2020-09-25 15:14:56 +02:00
Michel Caffarel	329bcf805b	Fixed schwartz screening when integrals are read	2020-05-12 22:48:37 +02:00
Michel Caffarel	a62456b238	Avoid to provide ao basis when reading integrals	2020-05-12 21:57:05 +02:00
Anthony Scemama	08089a4dad	Introduced screening.irp.f	2020-05-12 18:48:51 +02:00
Anthony Scemama	15ab29206c	Fixed type conversions	2019-12-03 00:15:01 +01:00
Anthony Scemama	eb3a8a679c	Working on periodic	2019-12-02 19:25:35 +01:00
Pierre Loos	5e732b0f61	modified stuffs	2019-05-23 16:06:37 +02:00
Emmanuel Giner LCT	35cdb13bd4	added some stuffs for getting the bielec integrals	2019-05-20 08:54:39 +02:00
Emmanuel Giner LCT	a7c1a04840	added get integral ao with two index only	2019-05-16 12:18:43 +02:00
Anthony Scemama	9f7b159fe1	Merge branch 'dev-lct' into dev-lcpq	2019-05-15 16:17:26 +02:00
Anthony Scemama	1a9698301d	Removed test in reverse	2019-04-10 18:55:01 +02:00
Anthony Scemama	178a8f5760	Commented index_reverse and acceleration	2019-04-10 17:19:44 +02:00
Emmanuel Giner	1228effa85	minor modifs	2019-04-08 16:15:13 +02:00
Anthony Scemama	f4bff28cd1	Warnings in documentation	2019-01-29 17:09:08 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00