1315 Commits

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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
Abdallah Ammar	5cf9919143	ci on master	2024-11-26 01:30:41 +01:00
Abdallah Ammar	01ccecd866	ensure correct path in quack rc	2024-11-25 11:25:17 +01:00
Pierre-Francois Loos	f5604e0264	fix quack.rc	2024-11-25 11:10:27 +01:00
Pierre-Francois Loos	4fd5cec4be	fixing merge with ci	2024-11-25 10:45:13 +01:00
Abdallah Ammar	785683a111	few modifs	2024-11-16 13:38:16 +01:00
Abdallah Ammar	da5ce79643	few modifs	2024-11-16 13:37:37 +01:00
Abdallah Ammar	f569587034	rm spinner simulation for CI	2024-11-15 19:52:24 +01:00
Abdallah Ammar	35d0df0eba	create input dir	2024-11-15 19:13:05 +01:00
Abdallah Ammar	c2dfed3f29	create data basis for ci	2024-11-15 18:59:11 +01:00
Abdallah Ammar	fe01afdbdf	user env on github machines	2024-11-15 18:55:39 +01:00
Abdallah Ammar	3e5e88d521	testing workflow	2024-11-15 18:51:25 +01:00
Abdallah Ammar	ffb526857b	deb testing	2024-11-15 18:45:10 +01:00
Abdallah Ammar	87f37931fe	deb testing	2024-11-15 18:43:11 +01:00
Abdallah Ammar	b23d504d32	deb testing	2024-11-15 18:42:24 +01:00
Abdallah Ammar	dadc7a13ad	deb testing	2024-11-15 18:39:23 +01:00
Abdallah Ammar	b1fef5eba0	deb testing	2024-11-15 18:38:01 +01:00
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