26 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	04c70f18d8	minimal changes in many files	2023-12-03 18:47:30 +01:00
Pierre-Francois Loos	3f12eb8188	dgemm for GHF AOtoMO transformation	2023-11-24 10:51:31 +01:00
Pierre-Francois Loos	a37cfb496e	clean up AOtoMO transform	2023-11-22 17:02:46 +01:00
Pierre-Francois Loos	fc0d471481	cleaning up AOtoMO transformation for RHF and UHF	2023-11-22 16:20:14 +01:00
Pierre-Francois Loos	05d11b3f26	fix bug in AOtoMO transform for UHF	2023-11-22 14:54:05 +01:00
Pierre-Francois Loos	821265a7aa	rename AOtoMO and MOtoAO	2023-11-10 17:22:51 +01:00
Pierre-Francois Loos	de2ace91fc	bit of cleanup in qsUGW but still bug	2023-11-09 22:24:57 +01:00
Pierre-Francois Loos	39d58d9eb5	AO <-> MO modifs	2023-11-08 22:59:13 +01:00
Pierre-Francois Loos	94cc75309e	AO <-> MO modifs	2023-11-08 22:58:55 +01:00
Pierre-Francois Loos	c7093e0c2c	BSE@GHF	2023-10-26 23:28:53 +02:00
Pierre-Francois Loos	5b8c0d542c	post-GHF methods	2023-10-26 18:00:16 +02:00
Pierre-Francois Loos	90508131e3	working on GHF	2023-10-26 09:35:48 +02:00
Pierre-Francois Loos	1be31c72f4	fix for real bug in AOtoMO transform for unrestricted case	2023-10-25 10:38:29 +02:00
Pierre-Francois Loos	1084fcebea	fix bug... maybe	2023-10-24 17:03:41 +02:00
Pierre-Francois Loos	6df119aaba	move exchange	2023-07-20 21:54:31 +02:00
Pierre-Francois Loos	a2c38aa03b	remove COHSEX and modify phLR in GW routines	2023-07-18 14:59:18 +02:00
Antoine Marie	616d6747e6	matrix multiplication for the AOtoMO transformation	2023-03-14 14:09:07 +01:00
Pierre-Francois Loos	2a46cc4617	remove old methods and options	2022-11-29 09:54:18 +01:00
Pierre-Francois Loos	c379b80eac	ACFDT for ppRPA	2021-11-18 13:34:08 +01:00
Pierre-Francois Loos	0f28af6d50	Vxc in GW	2021-02-15 17:27:06 +01:00
Pierre-Francois Loos	7af5a35157	bug in makefile debug	2020-10-14 16:02:09 +02:00
Pierre-Francois Loos	96254cd22d	remove examples dir	2020-10-14 15:07:35 +02:00
Pierre-Francois Loos	a5bd9c218b	ninja	2020-10-13 13:44:24 +02:00
Pierre-Francois Loos	c15ea00351	CIS(D) sligntly faster	2020-10-02 13:42:21 +02:00
Pierre-Francois Loos	680f4cb0e2	debugging sf	2020-09-30 09:59:18 +02:00
Pierre-Francois Loos	2a498658b3	major modification for makefiles	2020-09-30 00:10:57 +02:00