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Author	SHA1	Message	Date
Pierre-Francois Loos	e01b6bedd1	Merge branch 'master' of github.com:pfloos/QuAcK	2024-09-10 14:35:52 +02:00
Pierre-Francois Loos	055fd3712a	karlsruhe XBS version	2024-09-10 14:35:45 +02:00
Abdallah Ammar	33439ca350	Merge branch 'master' of https://github.com/pfloos/QuAcK	2024-09-10 10:13:55 +02:00
Abdallah Ammar	bb337206eb	refactoring in Davidson	2024-09-10 10:13:50 +02:00
Pierre-Francois Loos	826d80d594	more cleanup	2024-09-10 09:40:22 +02:00
Pierre-Francois Loos	65ba14706c	cleanup in RG0W0	2024-09-10 09:34:46 +02:00
pfloos	e2617c1113	debugging AC@BSE	2024-09-09 20:49:35 +02:00
pfloos	0cbd4fb10f	create G routines and remove duplicated code	2024-09-08 17:23:23 +02:00
pfloos	b6652240d3	GG0T0pp	2024-09-08 17:15:27 +02:00
pfloos	d5a396200e	remove redundant code	2024-09-08 16:19:03 +02:00
Abdallah Ammar	8c01e47080	reduce lines to <= 132 char	2024-09-08 16:11:34 +02:00
Abdallah Ammar	9e5c2c629f	rm olympe by default	2024-09-07 14:02:43 +02:00
Abdallah Ammar	3142c59066	Merge branch 'master' of https://github.com/pfloos/QuAcK	2024-09-07 13:59:20 +02:00
Abdallah Ammar	178cf40214	added Davidson for ppLR_RG0T0pp	2024-09-07 13:59:15 +02:00
pfloos	f85bd15e03	creating new routines gor G branch in RPA, LR, GF and GW	2024-09-06 22:14:51 +02:00
pfloos	27f14363c7	phGLR subroutines	2024-09-06 21:35:42 +02:00
Antoine Marie	b9da29a020	openmp in ppbse@gf2	2024-09-06 20:54:12 +02:00
Antoine Marie	4134aadac5	fixed ppBSE@GF2, still need to add openMP on loops	2024-09-06 20:40:54 +02:00
Pierre-Francois Loos	cd25d07f6f	ebugging GF2 ppBSE spin adaptation	2024-09-06 16:16:16 +02:00
Pierre-Francois Loos	c9a269cbb6	ppBSE@GF2@GHF	2024-09-06 15:54:24 +02:00
Antoine Marie	07a625d854	Merge branch 'master' of github.com:pfloos/QuAcK	2024-09-06 15:22:51 +02:00
Pierre-Francois Loos	fa69888f48	ppBSE@GW@GHF	2024-09-06 13:47:15 +02:00
Antoine Marie	95a7372e2f	rename BSE files in GF2	2024-09-06 11:50:43 +02:00
Antoine Marie	3111666d15	openMP implementation of the VV block for ppBSE@GF2	2024-09-06 11:26:47 +02:00
Pierre-Francois Loos	2fd6158722	small print again	2024-09-04 16:17:44 +02:00
Pierre-Francois Loos	4d022994c9	small print	2024-09-04 16:16:29 +02:00
Abdallah Ammar	4a6b95aac7	added local svd	2024-09-04 08:22:03 +02:00
pfloos	4ca7fff02f	renaming in GT	2024-09-03 16:44:57 +02:00
pfloos	85393db27f	renaming in GF module	2024-09-03 16:28:18 +02:00
pfloos	ede79d9ff4	renaming in GW module	2024-09-03 16:06:09 +02:00
pfloos	c05432416e	pCCD	2024-09-03 15:00:50 +02:00
pfloos	bbbf50e146	ok with pCCD for now	2024-09-03 11:39:57 +02:00
pfloos	4cfe6ddb39	ok with pCCD for now	2024-09-03 11:35:21 +02:00
pfloos	348577f72a	debug OO-pCCD	2024-09-03 10:59:54 +02:00
pfloos	6a829f0cad	creating routines for pCCD	2024-09-03 09:03:17 +02:00
pfloos	6a6078ac7e	passing Fock matrix and others in G branch	2024-09-02 22:39:00 +02:00
pfloos	a90e6203ec	passing Fock matrix and others in U branch	2024-09-02 22:35:46 +02:00
pfloos	fda6a45276	passing Fock matrix and others in R branch	2024-09-02 22:18:53 +02:00
Antoine Marie	e37becbba4	Merge branch 'master' of github.com:pfloos/QuAcK	2024-09-02 11:36:17 +02:00
Antoine Marie	b34cf765d8	add geometries	2024-09-02 11:35:39 +02:00
pfloos	0f9846b4f2	clean up format	2024-09-01 21:42:10 +02:00
Abdallah Ammar	9d2a6eee0b	udapted qsRGF2, qsRGTeh, qsRGTpp and qsRGW pour nOrb	2024-09-01 15:29:33 +02:00
Abdallah Ammar	4d8adcd6a2	fixed bug in RMP call	2024-09-01 15:07:01 +02:00
AbdAmmar	fe1abef827	Merge pull request #10 from pfloos/mo_num ... Mo num	2024-09-01 14:33:53 +02:00
Abdallah Ammar	20875a51a4	fixed conf in pCCD	2024-09-01 14:33:36 +02:00
AbdAmmar	a532fe1063	Merge pull request #9 from pfloos/utest ... Utest	2024-09-01 13:54:33 +02:00
Abdallah Ammar	5925fb73bc	RHF in nOrb representation has been tested	2024-09-01 13:50:29 +02:00
Abdallah Ammar	294ff753ac	few modifs	2024-08-31 13:30:34 +02:00
AbdAmmar	a44839e67d	absolute path for bench	2024-08-30 20:38:00 +02:00
Abdallah Ammar	2c312cfc57	v0 of FeatherBench	2024-08-30 20:15:39 +02:00