350 Commits

Author	SHA1	Message	Date
Loris Burth	d6e25e67f0	bug fix in self energy and parallelisation of self energy	2025-04-23 15:05:25 +02:00
Loris Burth	179a0835b3	Added SRG for complex GW methods	2025-04-22 19:58:53 +02:00
lburth	62f331af9e	blub	2025-04-22 16:04:31 +02:00
Loris Burth	c8ff6507ab	rm debug print	2025-04-17 14:44:44 +02:00
Loris Burth	abb499d779	datatype fixed for trace	2025-04-17 14:41:43 +02:00
Loris Burth	248bd930e3	debugging	2025-04-17 14:00:33 +02:00
Loris Burth	f84da77244	bug fixes and rm error in linear solve	2025-04-17 09:56:12 +02:00
Loris Burth	cdc1c25351	first qsGW version + cleaner data allocation to avoid warnings	2025-04-16 17:54:18 +02:00
Loris Burth	87213574bd	some print changes	2025-04-16 13:29:01 +02:00
Loris Burth	78dea2819a	bug fix in complex evGW	2025-04-15 15:05:22 +02:00
lburth	0130c68d4e	typo fix	2025-04-15 11:31:49 +02:00
Loris Burth	32c0efb45c	fixed root search in complex evGW	2025-04-15 10:57:03 +02:00
Loris Burth	d051302107	complex linearized evGW@cRHF	2025-04-15 10:20:26 +02:00
Loris Burth	9f12b41723	debugged g0f2	2025-04-14 14:30:55 +02:00
Loris Burth	8c2effe214	debugging	2025-04-14 11:37:34 +02:00
Loris Burth	275de5f98e	init plot complex greens function	2025-04-14 11:30:00 +02:00
Loris Burth	0cc85b40b0	plot self energy	2025-04-07 13:51:39 +02:00
Loris Burth	8e057060e6	fixed root real part in complex root search of G0W0	2025-04-03 20:56:58 +02:00
Loris Burth	99f26ceca3	Added root search for full complex RG0W0	2025-04-03 17:13:49 +02:00
Loris Burth	6dbaa0c2d1	fully complex G0W0 consistent with real one	2025-04-03 15:58:41 +02:00
Loris Burth	9b663eeca6	First go for fully complex RG0W0	2025-04-02 10:45:46 +02:00
Loris Burth	cdf6f5ecf2	WIP: Implement fully complex G0W0	2025-03-31 17:49:25 +02:00
Loris Burth	a8d89aa933	undid sign change	2025-03-27 10:58:47 +01:00
Loris Burth	da65737cc0	sign error in imaginary part of Z	2025-03-27 10:34:26 +01:00
Loris Burth	ed7957600c	Print functions and memory allocation for complex/real methods	2025-03-26 11:01:02 +01:00
Loris Burth	738cdde624	added cG0F2	2025-03-25 15:34:14 +01:00
Loris Burth	39a06a137d	fixed geom and printcRG0W0	2025-03-25 13:38:10 +01:00
Loris Burth	8c7b3ad994	fix cRHF print	2025-03-21 11:15:59 +01:00
Loris Burth	ff9c408f0e	Modification in data passing	2025-03-20 17:40:47 +01:00
Loris Burth	f936f64e96	Cap integrals + cG0W0@RHF done (not tested yet)	2025-03-19 17:01:35 +01:00
Loris Burth	d7418ae352	G0W0 corrected with CAP	2025-03-18 15:46:32 +01:00
Loris Burth	8ab381ed27	G0W0 with CAP correction	2025-03-18 14:39:07 +01:00
Loris Burth	0b8e159b28	start cRG0W0	2025-03-14 09:50:54 +01:00
Loris Burth	e7c837ada7	init cRG0W0	2025-03-11 14:24:57 +01:00
pfloos	0730247488	rename phLR -> phRLR	2024-12-19 10:03:40 +01:00
pfloos	10aa54e30a	rename ppLR -> ppRLR	2024-12-19 09:40:52 +01:00
Abdallah Ammar	9986ff09dd	q -> p in RGW_self_energy	2024-11-05 07:56:10 +01:00
Abdallah Ammar	52a1346bdb	q -> p in GGW_self_energy	2024-11-05 07:48:49 +01:00
pfloos	4692017d56	remove warnings	2024-11-04 19:30:06 +01:00
Antoine Marie	9090133281	Merge branch 'master' of github.com:pfloos/QuAcK	2024-11-04 17:01:09 +01:00
Antoine Marie	0554bdd53f	full ppBSE@GT and full dynBSE@GW in spin orbital and spatial orb	2024-11-04 17:00:51 +01:00
Abdallah Ammar	bb0d68eef0	fixed conflic bef merging	2024-11-04 11:31:36 +01:00
Abdallah Ammar	b0eb4cb55e	saving work on Dav on Olympe	2024-11-04 11:29:41 +01:00
pfloos	2500a98feb	one micro modif in RGW_phBSE	2024-10-31 19:36:08 +01:00
Pierre-Francois Loos	6667fb79c1	debuging UACFDT	2024-10-31 12:15:01 +01:00
pfloos	1a4ad3e225	cleaning	2024-10-30 10:08:39 +01:00
Antoine Marie	1ca40c25c4	Merge branch 'master' of github.com:pfloos/QuAcK	2024-10-30 09:37:06 +01:00
Antoine Marie	6c37311e38	ppBSE GT	2024-10-30 09:36:36 +01:00
pfloos	9b32dbd749	fix stupid bug in UGW static kernel	2024-10-30 09:28:39 +01:00
Antoine Marie	61288e474d	ppBSE dynamic correction for the block D is working	2024-10-25 14:44:35 +02:00