14 Commits

Author	SHA1	Message	Date
pfloos	04c70f18d8	minimal changes in many files	2023-12-03 18:47:30 +01:00
pfloos	337a950172	cleanup again in print	2023-11-27 23:25:10 +01:00
Pierre-Francois Loos	cdb9220872	cleanup qsGW	2023-11-27 13:30:53 +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	ebd00ae525	clean up print excitation energy	2023-11-22 10:07:23 +01:00
Pierre-Francois Loos	0bb137ed57	crGRPA	2023-11-14 13:50:53 +01:00
pfloos	976d2b0c54	saving work: test in GW	2023-11-13 17:39:30 +01:00
pfloos	821265a7aa	rename AOtoMO and MOtoAO	2023-11-10 17:22:51 +01:00
pfloos	de2ace91fc	bit of cleanup in qsUGW but still bug	2023-11-09 22:24:57 +01:00
pfloos	77a54456e9	fix dipole bug in qsGW	2023-11-09 17:38:30 +01:00
pfloos	2328204e92	cleanup prints	2023-11-09 17:04:15 +01:00
pfloos	068d88aa06	modifs print qsGW	2023-11-09 09:37:21 +01:00
pfloos	60b214a560	rename GW routines	2023-11-09 09:03:56 +01:00