65 Commits

Author	SHA1	Message	Date
Anthony Scemama	512525508b	Fixed division by zero in RSDFT	2020-05-20 11:45:41 +02:00
Emmanuel Giner	e864eb1cf3	added the possibility to use no_vvvv integrals from EZFIO	2020-05-11 16:04:16 +02:00
Emmanuel Giner	61df4e01df	added shank	2020-04-30 19:35:21 +02:00
Emmanuel Giner	b0823fe003	added shank	2020-04-30 19:14:50 +02:00
Emmanuel Giner	32030bc9c6	added doc for prim_in_r	2020-04-24 16:14:59 +02:00
Emmanuel Giner	792c685df3	added prim_in_r	2020-04-24 16:12:25 +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
Anthony Scemama	fe56579ae4	Safe lapack calls with int32	2019-11-21 09:56:30 +01:00
Anthony Scemama	0f8ea82d68	Don't recompute 1st Davidson iteration	2019-11-18 15:56:26 +01:00
Emmanuel Giner LCT	9ba571a910	removed generators bitmaks, and casscf with not continuous orbital windows is working	2019-10-24 19:02:42 +02:00
Anthony Scemama	edd2276b75	Fixed usleep	2019-07-09 17:33:44 +02:00
Anthony Scemama	1120d572fa	Cleaning allocation of string	2019-07-09 17:18:05 +02:00
Anthony Scemama	3763767f77	Fix bug with deterministic PT2	2019-07-09 13:40:06 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00