219 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	f998fb3a13	remove self-screening correction	2023-04-12 22:29:10 +02:00
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	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	597c4a9885	getting rid of G0W and GW0	2022-11-30 16:41:43 +01:00
Pierre-Francois Loos	733e2794ec	BeO	2022-11-29 16:01:02 +01:00
Pierre-Francois Loos	0b56f97398	update DIIS in HF and qsGW	2022-11-29 14:47:51 +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	b5499435ae	numgrid install problem	2022-10-20 16:20:59 +02:00
Pierre-Francois Loos	96621bd038	adding routines for MBPT vs CC	2022-09-28 16:09:09 +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	13ed518704	correct a few bugs in ppBSE	2022-08-17 16:53:59 +02:00
Pierre-Francois Loos	3acc640eee	excitation vectors for ppRPA and ppBSE	2022-08-17 15:52:13 +02:00
Pierre-Francois Loos	68672a74b9	adding option for ppBSE	2022-08-17 14:38:00 +02:00
Pierre-Francois Loos	93564f350d	ppBSE@G0W0	2022-08-17 14:32:14 +02:00
Pierre-Francois Loos	715c97a1e3	guess read implementation	2022-08-16 15:59:15 +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	31e9911797	evUGT not working yet	2022-02-16 22:24:43 +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	86f501cb78	ppURPA	2022-02-15 13:51:18 +01:00
EnzoMonino	d4c50fa39e	print_UG0T0.f90	2022-02-08 13:45:13 +01:00
Pierre-Francois Loos	15a04fd253	merge with Clotilde	2022-02-07 10:48:46 +01:00
Pierre-Francois Loos	036c8bda26	merge with Clotilde	2022-02-07 10:48:22 +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	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	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	695b407335	OK with BSE@GT	2022-01-09 23:12:21 +01:00
Pierre-Francois Loos	41d160d1d6	fix sign in GM@GT	2022-01-07 15:14:00 +01:00
Pierre-Francois Loos	16066f96d8	rename routines in eDFT	2022-01-07 09:13:38 +01:00
Pierre-Francois Loos	e1f67c94d4	GM in GT	2022-01-06 13:48:15 +01:00
Pierre-Francois Loos	3ecf94bbc9	debugging BSE@GT	2022-01-05 12:46:59 +01:00
Pierre-Francois Loos	f6270a0ba5	CID and CISD	2022-01-04 11:39:33 +01:00
Pierre-Francois Loos	c7d353de18	rename files in GT	2022-01-02 10:25:19 +01:00
Pierre-Francois Loos	97c274a4f1	rename files in GT	2022-01-02 10:24:30 +01:00
EnzoMonino	d6ee3863da	ppURPA	2021-12-31 12:49:13 +01:00