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Author	SHA1	Message	Date
Abdallah Ammar	657197136c	deb testing	2024-11-15 18:36:56 +01:00
Abdallah Ammar	468f4e1cf4	rm configuration yml	2024-11-15 18:30:33 +01:00
Abdallah Ammar	8bf9c44027	workflow for testing	2024-11-15 17:22:07 +01:00
AbdAmmar	1cccc81c0d	Merge pull request #11 from pfloos/work_env ... Work env	2024-11-15 11:38:01 +01:00
Abdallah Ammar	ea23222b35	workflow for checking compilation	2024-11-15 11:30:55 +01:00
Abdallah Ammar	069cb76a7a	workflow for checkin dependencies	2024-11-15 11:21:47 +01:00
Abdallah Ammar	c3378e2ad4	added configure script for dependencies	2024-11-15 10:49:12 +01:00
Abdallah Ammar	ee2f5c648a	Add submodule external/qp2-dependencies	2024-11-15 10:46:09 +01:00
Abdallah Ammar	152e5657de	rm u/lap	2024-11-15 10:36:27 +01:00
Abdallah Ammar	89d7394e48	Update .gitmodules and remove utils/lapack-release submodule entry	2024-11-15 10:30:02 +01:00
Abdallah Ammar	933780a847	Merge branch 'master' into work_env	2024-11-05 07:57:26 +01:00
Abdallah Ammar	9986ff09dd	q -> p in RGW_self_energy	2024-11-05 07:56:10 +01:00
Abdallah Ammar	c2031c9d8a	Merge branch 'master' into work_env	2024-11-05 07:51:35 +01:00
Abdallah Ammar	52a1346bdb	q -> p in GGW_self_energy	2024-11-05 07:48:49 +01:00
Abdallah Ammar	344c2bd4fa	add ifort again	2024-11-05 07:45:50 +01:00
Abdallah Ammar	664a98e57f	merge with master	2024-11-04 22:32:23 +01:00
Abdallah Ammar	e4f89c21f5	Merge branch 'master' into work_env	2024-11-04 22:14:26 +01:00
pfloos	d1f9daa3e5	remove warning in ufG0T0pp	2024-11-04 19:35:42 +01:00
pfloos	4692017d56	remove warnings	2024-11-04 19:30:06 +01:00
Abdallah Ammar	336c67ac3c	rm more warnings in Davidson	2024-11-04 19:09:00 +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	fcb9c16313	dav warnings	2024-11-04 15:15:49 +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
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