268 Commits

Author	SHA1	Message	Date
Antoine Marie	c74579254d	save file before pull	2023-04-20 17:00:34 +02:00
Antoine Marie	78cefb5759	fix conflicts	2023-03-14 14:15:00 +01:00
Antoine Marie	1b0eaf2fba	add SRG in input	2023-03-14 14:13:33 +01:00
Pierre-Francois Loos	a1b4abf10a	fix bug in BSE2@GW	2023-03-13 10:10:40 +01:00
Pierre-Francois Loos	c130e3a352	fix bug in CCGW	2022-12-06 09:15:32 +01:00
Pierre-Francois Loos	bdbd201d6c	remove MP2F12	2022-12-01 09:42:23 +01:00
Pierre-Francois Loos	196e4c917a	introduce SRG regularizer in GF, GW, and GT and add option for reg MP2	2022-11-30 17:18:51 +01:00
Pierre-Francois Loos	733e2794ec	BeO	2022-11-29 16:01:02 +01:00
Pierre-Francois Loos	76a3b9cfff	SRG qsGW	2022-11-29 12:11:09 +01:00
Pierre-Francois Loos	2a46cc4617	remove old methods and options	2022-11-29 09:54:18 +01:00
Pierre-Francois Loos	d2082f55f8	implementation of BSE2@GW	2022-11-28 15:05:29 +01:00
Pierre-Francois Loos	5a561e0ed9	update eDFT module	2022-11-28 10:52:06 +01:00
Pierre-Francois Loos	68d95544ae	clean up QuAcK	2022-11-08 15:38:46 +01:00
Pierre-Francois Loos	b5499435ae	numgrid install problem	2022-10-20 16:20:59 +02:00
Pierre-Francois Loos	37030fe797	CCGW	2022-10-13 21:20:37 +02:00
Pierre-Francois Loos	f9497363b2	CCGW	2022-09-29 16:01:02 +02:00
Pierre-Francois Loos	96621bd038	adding routines for MBPT vs CC	2022-09-28 16:09:09 +02:00
Pierre-Francois Loos	69bab74d81	EE-EOM-CCD	2022-09-27 16:43:24 +02:00
Pierre-Francois Loos	1f2f6634bb	DIP- and DEA-EOM-CCD	2022-09-27 14:07:31 +02:00
Pierre-Francois Loos	68008e5738	working on ppBSE@GT	2022-09-09 21:48:50 +02:00
Pierre-Francois Loos	93564f350d	ppBSE@G0W0	2022-08-17 14:32:14 +02:00
Pierre-Francois Loos	20264ca56c	fix bug in iterative dynamic correction	2022-08-15 09:49:57 +02:00
EnzoMonino	f8880b24e1	qsUGT still not working	2022-02-25 11:33:13 +01:00
EnzoMonino	9f2bb3ba7d	qsUGT	2022-02-25 09:40:39 +01:00
EnzoMonino	cb0054c441	changed cutoff in ufG0W0	2022-02-18 16:29:17 +01:00
EnzoMonino	a878fc6e3b	UG0T0	2022-02-16 21:27:35 +01:00
Pierre-Francois Loos	0b4abc2d91	fix merge	2022-02-15 20:15:21 +01:00
Pierre-Francois Loos	1dea272863	commit before enzo pull	2022-02-15 20:14:01 +01:00
EnzoMonino	ab27723b51	UG0T0	2022-02-15 14:08:11 +01:00
EnzoMonino	86f501cb78	ppURPA	2022-02-15 13:51:18 +01:00
EnzoMonino	d4c50fa39e	print_UG0T0.f90	2022-02-08 13:45:13 +01:00
EnzoMonino	2325131fb0	UG0T0	2022-02-07 10:46:43 +01:00
Pierre-Francois Loos	21c1ceb975	fix ACFDT for Tmatrix	2022-02-03 10:05:58 +01:00
Pierre-Francois Loos	03f41ef20c	level shift and proper guess	2022-02-02 15:06:51 +01:00
Pierre-Francois Loos	a1e81ab7e5	clean BSE2	2022-02-01 11:42:31 +01:00
Pierre-Francois Loos	eca248d34d	remove print	2022-01-31 13:41:07 +01:00
Pierre-Francois Loos	f7718c8ab1	clean linear response and static BSE2 kernel	2022-01-31 13:19:42 +01:00
EnzoMonino	0924ce1b3d	clean ppURPA	2022-01-29 11:47:35 +01:00
Pierre-Francois Loos	df5345e570	spinorbital BSE@G0T0	2022-01-26 13:05:16 +01:00
Pierre-Francois Loos	0f7cde9766	fix bug in eDFT rcond not initialized	2022-01-24 10:29:27 +01:00
Pierre-Francois Loos	0196fc3a4e	fix bug in UHF	2022-01-17 15:12:45 +01:00
Pierre-Francois Loos	16431bcd33	ufG0W0	2022-01-17 08:02:11 +01:00
Pierre-Francois Loos	96e4f15aeb	B part of dBSE@GT	2022-01-12 09:17:39 +01:00
Pierre-Francois Loos	fc0f9bb5f0	dynamic BSE@GT	2022-01-11 15:23:43 +01:00
Pierre-Francois Loos	d790d95c4d	fix bugs in print in UKS	2022-01-08 13:59:45 +01:00
Pierre-Francois Loos	41d160d1d6	fix sign in GM@GT	2022-01-07 15:14:00 +01:00
Pierre-Francois Loos	909777c458	rename routine in HF	2022-01-07 09:56:30 +01:00
Pierre-Francois Loos	0cdf014817	fix bug GM@GT	2022-01-07 09:37:11 +01:00
Pierre-Francois Loos	16066f96d8	rename routines in eDFT	2022-01-07 09:13:38 +01:00
Pierre-Francois Loos	c21864c34c	regularized self-energy in qsGW and evGW	2022-01-06 22:02:10 +01:00