20 Commits

Author	SHA1	Message	Date
pfloos	04c70f18d8	minimal changes in many files	2023-12-03 18:47:30 +01:00
pfloos	a37cfb496e	clean up AOtoMO transform	2023-11-22 17:02:46 +01:00
pfloos	fc0d471481	cleaning up AOtoMO transformation for RHF and UHF	2023-11-22 16:20:14 +01:00
pfloos	8a5e094278	include test in many different things... work on progress	2023-11-13 16:15:15 +01:00
pfloos	821265a7aa	rename AOtoMO and MOtoAO	2023-11-10 17:22:51 +01:00
pfloos	94cc75309e	AO <-> MO modifs	2023-11-08 22:58:55 +01:00
pfloos	90508131e3	working on GHF	2023-10-26 09:35:48 +02:00
Pierre-Francois Loos	e02624c646	regularization in GF2	2023-08-01 17:38:35 +02:00
Pierre-Francois Loos	1ea1d49a4e	rename UGF routines	2023-07-22 21:02:59 +02:00
Pierre-Francois Loos	46ab457dc2	remove evDyn and cleanup dBSE@GW	2023-07-21 10:21:54 +02:00
pfloos	76bc19504d	rename LR matrices	2023-07-12 22:37:04 +02:00
Pierre-Francois Loos	d51f99671d	problem with rcond in DIIS fixed	2022-01-06 22:36:30 +01:00
Pierre-Francois Loos	02f7a03385	regularized GF2	2021-12-17 13:36:26 +01:00
Pierre-Francois Loos	203ce9541c	regularized GW	2021-12-17 11:41:40 +01:00
Pierre-Francois Loos	9eca749bce	qsGW	2021-06-25 10:19:42 +02:00
Pierre-Francois Loos	114ac2d1d1	debug qsGW and qsGF	2021-03-27 15:03:54 +01:00
Pierre-Francois Loos	d01e7c248c	debug qsGF2/qsUGF2	2021-03-23 19:50:46 +01:00
Pierre-Francois Loos	72470287f7	UG0F2	2021-03-08 17:00:05 +01:00
Pierre-Francois Loos	2d826d0f1e	working on qsUGF2	2021-03-07 23:04:47 +01:00
Pierre-Francois Loos	29ed74cba0	qsUGF2	2021-03-07 22:44:37 +01:00