18 Commits

Author	SHA1	Message	Date
ydamour	9495d490ba	fix test cisd	2023-03-13 10:25:39 +01:00
ydamour	f5dc20a29f	tests cisd w frozen core	2023-03-10 17:46:30 +01:00
ydamour	1c5db564b2	cisd conversion Ha eV, (Q) if n_elec >= 4	2023-03-10 17:34:57 +01:00
Anthony Scemama	c8109a1f51	Fixing tests	2022-08-29 15:45:09 +02:00
Anthony Scemama	691d8957dc	Changed ci_threshold into save_threshold	2021-11-26 12:50:26 +01:00
Anthony Scemama	fbfcc98f41	Added save_wavefunction_truncated(ci_threshold)	2021-11-25 14:46:20 +01:00
Anthony Scemama	da5768f5fe	Fixed tests	2020-11-11 19:13:04 +01:00
Anthony Scemama	7c100a1a2d	Symmetry	2020-11-11 15:51:19 +01:00
Emmanuel Giner LCT	a659174451	cleaned some dirty non ascii character	2020-03-31 18:40:20 +02:00
Anthony Scemama	79f47d024b	First python3 3 working installation	2020-03-17 18:02:29 +01:00
Anthony Scemama	a812993d8c	Fixed tests	2020-02-05 11:48:44 +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
Emmanuel Giner LCT	40239f100c	Merge alors	2019-10-24 13:56:53 +02:00
Emmanuel Giner LCT	55286d7889	improvement in casscf with CISD, CISDTQ and so on	2019-07-04 00:40:02 +02:00
eginer	0b3c2804a2	added check_sym	2019-04-26 17:31:15 +02:00
Anthony Scemama	7521d3da46	Folder -> directory	2019-01-29 23:10:00 +01:00
Anthony Scemama	dcbce52da1	Fixed Davidson	2019-01-27 21:58:36 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00