12 Commits

Author	SHA1	Message	Date
Loris Burth	a7d94e8193	added crhf options and methods	2025-03-26 19:06:21 +01:00
Loris Burth	f936f64e96	Cap integrals + cG0W0@RHF done (not tested yet)	2025-03-19 17:01:35 +01:00
Loris Burth	d7418ae352	G0W0 corrected with CAP	2025-03-18 15:46:32 +01:00
Loris Burth	0b8e159b28	start cRG0W0	2025-03-14 09:50:54 +01:00
Loris Burth	211168ecb9	complex diis and cap integrals	2025-03-13 15:07:36 +01:00
Loris Burth	e7c837ada7	init cRG0W0	2025-03-11 14:24:57 +01:00
Loris Burth	2dd752b885	Cholesky for orthogonalization instead GS	2025-03-11 00:25:10 +01:00
Loris Burth	20fe1bc59a	First debugged version of cRHF	2025-03-10 14:46:56 +01:00
Loris Burth	0db651d868	added sorted eigenvalues complex diag	2025-03-05 17:47:35 +01:00
Loris Burth	4e015ecd4d	wip: debug complex diagonalization	2025-03-05 12:22:07 +01:00
Loris Burth	6069b68bdf	start complex matrix diag	2025-03-04 14:04:03 +01:00
Loris Burth	569cdc2164	demo for Titou	2025-03-04 10:16:23 +01:00