18 Commits

Author	SHA1	Message	Date
AbdAmmar	4e9143133a	added 1e-noL with CUDA	2024-08-10 18:13:23 +02:00
Abdallah Ammar	2b24424891	2e-noL with CUDA	2024-08-08 23:41:03 +02:00
AbdAmmar	67a2f0eb0c	openmp issue solved	2024-08-05 14:49:35 +02:00
Abdallah Ammar	dee440747f	devide BH jast coeff by 2 direct	2024-08-04 11:58:19 +02:00
Abdallah Ammar	c4b19af2ec	cuda tc-integrals tested	2024-08-03 18:08:23 +02:00
Abdallah Ammar	8e0fe19ab4	fixed path for install	2024-08-03 12:32:35 +02:00
Abdallah Ammar	4bd8b710a5	CuTC integrals: OK	2024-08-02 21:16:27 +02:00
Abdallah Ammar	76ec02812e	fix nb of blocks autom	2024-08-02 12:19:05 +02:00
Abdallah Ammar	f43ee8cf61	int2_grad1_u12_ao is computed correctly on CUDA	2024-08-01 18:29:50 +02:00
Abdallah Ammar	b6b0ed5d22	WORKING ON DEBUG CUDA-INTEG	2024-08-01 10:05:47 +02:00
Abdallah Ammar	eb236e0112	Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable	2024-07-29 17:22:53 +02:00
AbdAmmar	4d79bd135f	Merge pull request #39 from QuantumPackage/dev-stable ... Dev stable	2024-07-29 17:20:48 +02:00
Anthony Scemama	4a9a11c630	GPU acceleration compute_tc_int	2024-07-12 17:32:41 +02:00
Abdallah Ammar	73066b4ac5	issue with linking with CUDA	2024-06-29 01:16:48 +02:00
Abdallah Ammar	461e2164f8	few modif in TC int	2024-06-28 15:04:34 +02:00
Anthony Scemama	a9d2f0e188	Working on TC ints. Not well tested	2024-06-26 17:55:56 +02:00
Abdallah Ammar	1d0bac25d0	v0	2024-06-26 15:31:44 +02:00
Abdallah Ammar	646607ada4	1st commit	2024-06-26 11:15:30 +02:00