14 Commits

Author	SHA1	Message	Date
Loris Burth	4fe5be29bf	Added cap data and integrals for C2H2 and CO2	2025-04-22 10:52:14 +02:00
Loris Burth	ff9c408f0e	Modification in data passing	2025-03-20 17:40:47 +01:00
Loris Burth	f936f64e96	Cap integrals + cG0W0@RHF done (not tested yet)	2025-03-19 17:01:35 +01:00
Pierre-Francois Loos	989e0b9bd8	remove qcaml for pyscf	2023-07-03 14:33:48 +02:00
Antoine Marie	545b5fb5e2	trying to fix diverging version	2023-06-30 16:47:26 +02:00
Pierre-Francois Loos	c3ee45b504	fix def2-tzvp*	2022-11-08 15:40:23 +01:00
Pierre-Francois Loos	68d95544ae	clean up QuAcK	2022-11-08 15:38:46 +01:00
Pierre-Francois Loos	afdf87dc58	OK for Hubbard	2021-10-15 21:01:56 +02:00
Pierre-Francois Loos	e66405fa6d	making Hubbard works	2021-10-15 19:30:00 +02:00
Pierre-Francois Loos	ff5b9e4e09	clean up basis sets	2020-10-26 14:52:11 +01:00
Pierre-Francois Loos	bf7cc8dada	clean up	2020-10-14 23:31:14 +02:00
Pierre-Francois Loos	efbe27068e	unrestricted ACFDT	2020-10-07 18:26:24 +02:00
Pierre-Francois Loos	e203b3c711	clean up	2020-10-06 14:28:52 +02:00
Pierre-Francois Loos	847160ad09	basis	2020-01-17 13:57:03 +01:00