1144 Commits

Author	SHA1	Message	Date
AbdAmmar	956ab28f58	fixed small bug with -u flag	2024-11-29 21:33:57 +01:00
AbdAmmar	542cce2da9	dRPA (with no TDA) on GPU: V0	2024-11-29 20:32:19 +01:00
AbdAmmar	fd4dc5b77e	fixed memory leak in phRPA	2024-11-29 19:10:24 +01:00
AbdAmmar	3c8f8291bd	working on dRPA (with no TDA) on GPU: saving	2024-11-29 13:58:52 +01:00
AbdAmmar	1235823334	refact for GPU	2024-11-29 03:07:18 +01:00
Abdallah Ammar	1a091a0707	few modifs	2024-11-28 18:41:00 +01:00
Abdallah Ammar	e43a56e042	refact in GPU direct & fixed bug in read dipole integrals	2024-11-28 16:10:05 +01:00
Pierre-Francois Loos	6ff3fc2905	comment use	2024-11-28 09:40:14 +01:00
Abdallah Ammar	2bdd48be2e	include mod for CPU & GPU	2024-11-28 08:55:19 +01:00
Abdallah Ammar	10cb7f931d	added & tested diagonalyzation with Cusolver!	2024-11-27 18:29:30 +01:00
Abdallah Ammar	0df9203eb3	dded cuda kernel for B-trip-dRPA	2024-11-27 09:08:22 +01:00
Abdallah Ammar	a7fa8fd49a	added cuda kernel for B-sing-dRPA	2024-11-27 09:03:33 +01:00
Abdallah Ammar	b2e82bff2e	added cuda kernel for A-trip-dRPA	2024-11-27 08:51:04 +01:00
Abdallah Ammar	66566a8ce7	added Aph_dRPA_sing kernel	2024-11-26 23:00:15 +01:00
Abdallah Ammar	9c42437746	linking with quack-cuda: OK	2024-11-26 19:31:44 +01:00
Abdallah Ammar	41dd532d0e	linked CUDA module with QuAcK properley	2024-11-26 16:33:06 +01:00
Abdallah Ammar	a10e4c8c23	update make_ninja file for cuda objects	2024-11-26 15:26:03 +01:00
Abdallah Ammar	3009ffe8f7	dRPA-CUDA: saving	2024-11-26 14:36:42 +01:00
Abdallah Ammar	cff0232eb5	workin on dRPA with CUDA	2024-11-26 09:37:46 +01:00
Pierre-Francois Loos	4fd5cec4be	fixing merge with ci	2024-11-25 10:45:13 +01:00
Abdallah Ammar	8bf9c44027	workflow for testing	2024-11-15 17:22:07 +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
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
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