15 Commits

Author	SHA1	Message	Date
Abdallah Ammar	d919d6ce7d	forked v	2022-07-05 01:17:43 +02:00
ydamour	f4512851bf	provder for Ha to eV	2022-05-19 10:42:29 +02:00
ydamour	62dbf11942	update au to eV	2022-05-19 10:28:05 +02:00
ydamour	511a80e062	add excitation energies in eV	2022-03-28 20:08:35 +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	50bc1b0d3c	Set zeros in CIS wave functions	2020-11-11 01:27:33 +01:00
Anthony Scemama	79f47d024b	First python3 3 working installation	2020-03-17 18:02:29 +01:00
Anthony Scemama	fa258a9bf0	Merge localhost:qp2 into dev	2020-03-06 13:57:08 +01:00
Anthony Scemama	a812993d8c	Fixed tests	2020-02-05 11:48:44 +01:00
Emmanuel Giner LCT	40239f100c	Merge alors	2019-10-24 13:56:53 +02:00
eginer	4fd5c4b75b	added check_sym	2019-04-26 17:32:52 +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