1306 Commits

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Author	SHA1	Message	Date
Abdallah Ammar	b0eb4cb55e	saving work on Dav on Olympe	2024-11-04 11:29:41 +01:00
Abdallah Ammar	df8eedf64e	handle the compilation options	2024-11-01 12:27:51 +01:00
Abdallah Ammar	3552975cee	ensure QUACK_ROOT is defined	2024-11-01 10:59:35 +01:00
pfloos	33a2debb3a	Merge branch 'master' of github.com:pfloos/QuAcK	2024-10-31 19:36:15 +01:00
pfloos	2500a98feb	one micro modif in RGW_phBSE	2024-10-31 19:36:08 +01:00
Antoine Marie	6ed7fd09be	saving work in T matrix kernel	2024-10-31 17:17:50 +01:00
Antoine Marie	21e5b55641	Merge branch 'master' of github.com:pfloos/QuAcK	2024-10-31 16:07:52 +01:00
Antoine Marie	5b5d3376c9	T matrix kernel of the ppBSE working in TDA in RHF and GHF	2024-10-31 16:07:25 +01:00
Abdallah Ammar	52894ba30e	absolute PATH in Fortran I/O	2024-10-31 15:42:22 +01:00
Pierre-Francois Loos	6667fb79c1	debuging UACFDT	2024-10-31 12:15:01 +01:00
Abdallah Ammar	a6bc29e958	avoid rm error message if file does not exist	2024-10-31 11:16:55 +01:00
Abdallah Ammar	e0cee99d02	absolute path for mkdir	2024-10-31 11:12:18 +01:00
Abdallah Ammar	1f56026c29	separete binary code and I/O when --working_dir is used	2024-10-31 10:46:00 +01:00
pfloos	127aeabf72	more cleaning	2024-10-30 10:44:39 +01:00
pfloos	1a4ad3e225	cleaning	2024-10-30 10:08:39 +01:00
Antoine Marie	df7f38b7b5	ppBSE GT	2024-10-30 09:41:25 +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
Abdallah Ammar	f2ead7138b	read mol geom from working dir	2024-10-29 23:43:33 +01:00
Antoine Marie	61288e474d	ppBSE dynamic correction for the block D is working	2024-10-25 14:44:35 +02:00
Antoine Marie	7c972806a0	Merge branch 'master' of github.com:pfloos/QuAcK	2024-10-23 18:07:04 +02:00
pfloos	ba01dd71fa	looking for a bug in UGW_phBSE	2024-10-15 02:14:51 +08:00
pfloos	2472e632f8	fixing UGW_phBSE and UGW_phACFDT	2024-10-14 04:11:48 +02:00
pfloos	96100f5cfd	remove ccGW for now	2024-10-11 15:34:35 +02:00
Antoine Marie	eca55bbcd8	save modified file to pull	2024-10-10 09:53:32 +02:00
Pierre-Francois Loos	da6dada877	clean GTpp in progress but unfinished	2024-10-01 16:14:33 +02:00
Pierre-Francois Loos	75479f07f2	proper spin adaptation in GTpp	2024-10-01 14:42:37 +02:00
pfloos	19be97355d	saving	2024-10-01 09:42:25 +02:00
pfloos	172ca40f37	saving worj in ccGW	2024-09-30 23:06:00 +02:00
Pierre-Francois Loos	80f393ded2	typo flow RG0W0	2024-09-27 15:31:38 +02:00
pfloos	ccd4ad570b	saving work in ppBSE@GW	2024-09-26 23:04:45 +02:00
Pierre-Francois Loos	b103364b76	mess	2024-09-26 20:06:23 +02:00
Pierre-Francois Loos	3494a6605a	missing file	2024-09-26 19:54:04 +02:00
Pierre-Francois Loos	26fde9363c	debugging uf ppBSE	2024-09-26 17:55:06 +02:00
Pierre-Francois Loos	88b0424cd3	GGW ppBSE dyn	2024-09-26 14:26:52 +02:00
Pierre-Francois Loos	dc0f77d525	uf ppBSE	2024-09-24 17:18:45 +02:00
pfloos	27a1aaa5e9	cleanup	2024-09-19 20:38:18 +02:00
Pierre-Francois Loos	486fde26d5	new logo	2024-09-19 17:09:20 +02:00
pfloos	f6b18f3c2a	eomGW	2024-09-18 18:08:24 +02:00
pfloos	8f94e0abdd	clean up in ccG0W0	2024-09-17 20:15:06 +02:00
pfloos	0e43294211	clean up in ccG0W0	2024-09-17 20:13:18 +02:00
pfloos	42f5439924	ccG0W0 with minimal memory and DIIS	2024-09-17 19:12:45 +02:00
Pierre-Francois Loos	2fd282fcce	saving wok in ccGW	2024-09-17 17:17:57 +02:00
Pierre-Francois Loos	8b7c715811	more efficient ccG0W0	2024-09-17 16:39:38 +02:00
Pierre-Francois Loos	4fa5706b90	ccRG0W0	2024-09-17 14:31:48 +02:00
pfloos	5fa70be11e	ok with ccGW	2024-09-17 09:10:16 +02:00
pfloos	6ad0cedc6e	saving work in CCGW	2024-09-16 23:32:38 +02:00
pfloos	94f5fd416f	CC-based GW	2024-09-16 22:30:23 +02:00
Pierre-Francois Loos	81257ad362	working in CCGW	2024-09-16 16:00:04 +02:00