69 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	19fd073ab9	fix bug in sort_ppRPA	2023-11-29 16:20:53 +01:00
Pierre-Francois Loos	f89d54c59b	correct big bug in HF search	2023-11-28 10:40:15 +01:00
3950	59789d873c	commit RG0W0	2023-11-27 10:02:33 +01:00
Pierre-Francois Loos	ebd00ae525	clean up print excitation energy	2023-11-22 10:07:23 +01:00
Pierre-Francois Loos	f30c5a9cb1	there is a bug in UG0W0	2023-11-20 21:34:08 +01:00
Pierre-Francois Loos	717138f363	starting cleaning up the unrestricted branch	2023-11-10 14:37:49 +01:00
Pierre-Francois Loos	83e5c9b07c	fix bug in UG0W0	2023-10-23 21:36:07 +02:00
Pierre-Francois Loos	68e6f02ae2	clean print excitations	2023-07-28 14:35:14 +02:00
Pierre-Francois Loos	4576ee06c3	rename LR routines	2023-07-28 14:14:35 +02:00
Pierre-Francois Loos	eee5f6bac8	rename UGW routines	2023-07-27 21:59:18 +02:00
Pierre-Francois Loos	866ed94153	add S2	2023-07-27 11:38:56 +02:00
Pierre-Francois Loos	d738e335ba	clean up	2023-07-27 11:38:38 +02:00
Pierre-Francois Loos	ed08450661	RPA module	2023-07-23 11:16:42 +02:00
Pierre-Francois Loos	c476b258ff	rename ULR routines	2023-07-21 13:04:29 +02:00
Pierre-Francois Loos	752edf29bf	cleanup LR	2023-07-20 22:01:11 +02:00
Pierre-Francois Loos	63ab549f6b	ppLR in GTpp and GW	2023-07-20 14:59:02 +02:00
Pierre-Francois Loos	11794c6625	ok with linear response	2023-07-20 12:37:54 +02:00
Pierre-Francois Loos	a2c38aa03b	remove COHSEX and modify phLR in GW routines	2023-07-18 14:59:18 +02:00
Pierre-Francois Loos	092a3f5e6d	OK with LR in RPA routines	2023-07-18 11:53:38 +02:00
Pierre-Francois Loos	266be65f2e	OK for ppLR	2023-07-18 09:59:25 +02:00
Pierre-Francois Loos	608a62dd6a	remove construction of matrices in ppRPA	2023-07-17 23:05:49 +02:00
Pierre-Francois Loos	91954dba8d	remove so GT routines	2023-07-17 22:31:28 +02:00
Pierre-Francois Loos	69faf94a4f	renaming again	2023-07-12 22:56:20 +02:00
Pierre-Francois Loos	76bc19504d	rename LR matrices	2023-07-12 22:37:04 +02:00
Pierre-Francois Loos	d207fb5173	renaming LR routines and fix bug in Z GW	2023-07-12 13:34:10 +02:00
Antoine Marie	545b5fb5e2	trying to fix diverging version	2023-06-30 16:47:26 +02:00
Antoine Marie	3a80069009	openMP for GW	2023-03-14 14:11:54 +01:00
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	93564f350d	ppBSE@G0W0	2022-08-17 14:32:14 +02:00
EnzoMonino	86f501cb78	ppURPA	2022-02-15 13:51:18 +01:00
EnzoMonino	d922666173	UG0T0	2022-02-08 11:57:15 +01:00
Pierre-Francois Loos	a1e81ab7e5	clean BSE2	2022-02-01 11:42:31 +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	0f7cde9766	fix bug in eDFT rcond not initialized	2022-01-24 10:29:27 +01:00
Pierre-Francois Loos	978e8b6a2c	OK with BSE@GT	2022-01-09 23:13:17 +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	3ecf94bbc9	debugging BSE@GT	2022-01-05 12:46:59 +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
Pierre-Francois Loos	2a5d6892b8	BSE@GT potentially correct	2021-12-21 13:49:41 +01:00
EnzoMonino	55187b39c4	ppURPA updates	2021-12-16 12:28:28 +01:00
EnzoMonino	5d5824ce14	ppURPA	2021-12-15 11:41:06 +01:00
Pierre-Francois Loos	1dfee1e9fa	set Fermi energy to zero in pp	2021-12-13 11:40:16 +01:00