16 Commits

Author	SHA1	Message	Date
Kevin Gasperich	c120ccf523	more error checking	2020-05-07 17:27:32 -05:00
Kevin Gasperich	102d930452	complex qr	2020-02-25 16:19:07 -06:00
Kevin Gasperich	f869d347b8	working on complex davidson	2020-02-25 13:09:15 -06:00
Kevin Gasperich	a59f1e9576	fixed complex sort template	2020-02-24 11:34:07 -06:00
Kevin Gasperich	6d12abf088	working on complex determinants	2020-02-21 15:54:48 -06:00
Kevin Gasperich	31e04c2ab6	complex determinants	2020-02-19 14:30:39 -06:00
Kevin Gasperich	4e93390632	working on two e ints	2020-01-22 11:35:41 -06:00
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