21 Commits

Author	SHA1	Message	Date
Loris Burth	53eb2cdd5d	removed tmp files from git index	2025-04-29 19:14:09 +02:00
lburth	62f331af9e	blub	2025-04-22 16:04:31 +02:00
Loris Burth	fb284a1996	random commit	2025-04-22 15:58:07 +02:00
Loris Burth	f4fd58f521	Added CAP integral for aug-cc-pvtz+3s3p3d on N2X	2025-03-27 15:47:55 +01:00
Loris Burth	d7418ae352	G0W0 corrected with CAP	2025-03-18 15:46:32 +01:00
Loris Burth	9498174b75	removed wrong cap integrals	2025-03-13 15:28:17 +01:00
Loris Burth	211168ecb9	complex diis and cap integrals	2025-03-13 15:07:36 +01:00
Loris Burth	4e015ecd4d	wip: debug complex diagonalization	2025-03-05 12:22:07 +01:00
Loris Burth	569cdc2164	demo for Titou	2025-03-04 10:16:23 +01:00
pfloos	42565f95f1	implement 1RDM and 2RDM for pCCD	2024-08-16 19:05:11 +02:00
Pierre-Francois Loos	7e633ed6da	CAP integrals	2024-04-22 15:35:15 +02:00
Antoine Marie	545b5fb5e2	trying to fix diverging version	2023-06-30 16:47:26 +02:00
Pierre-Francois Loos	6515773839	bug in ufGW and ufG0W0	2023-04-12 21:41:30 +02:00
Pierre-Francois Loos	c130e3a352	fix bug in CCGW	2022-12-06 09:15:32 +01:00
Pierre-Francois Loos	5a561e0ed9	update eDFT module	2022-11-28 10:52:06 +01:00
Pierre-Francois Loos	93564f350d	ppBSE@G0W0	2022-08-17 14:32:14 +02:00
Pierre-Francois Loos	a415a301d4	int directory	2020-10-13 20:59:03 +02:00
Pierre-Francois Loos	e203b3c711	clean up	2020-10-06 14:28:52 +02:00
Pierre-Francois Loos	10e316b140	gitignore	2020-06-10 15:40:44 +02:00
Pierre-Francois Loos	9e3c3f9c89	eta in linear response	2020-01-23 21:22:41 +01:00
Pierre-Francois Loos	fb820d3142	add directories	2019-05-08 09:15:46 +02:00