17 Commits

Author	SHA1	Message	Date
Anthony Scemama	86b4ff44d9	Vectorized int2_grad1u2_grad2u2_j1b2	2022-11-20 22:50:14 +01:00
Anthony Scemama	768e1ac5d8	Vectorizing integrals	2022-11-20 22:29:58 +01:00
Anthony Scemama	76eeade4d5	Vectorizing integrals	2022-11-20 19:27:23 +01:00
Anthony Scemama	c1bdfe7e93	Starting to transpose	2022-11-20 17:23:07 +01:00
Anthony Scemama	b2f79e2581	Vectorizing numerical integrals	2022-11-20 14:17:41 +01:00
eginer	ba7ab7f8ee	beginning to optimize the 3-e potential	2022-11-17 16:46:58 +01:00
eginer	6c41a9f07d	threshold in new jastrow int	2022-11-10 17:02:36 +01:00
AbdAmmar	fccf2fe438	new jast added in QP	2022-10-21 23:27:51 +02:00
AbdAmmar	ad01d2b2e4	v0 of new Jast added	2022-10-20 12:00:06 +02:00
AbdAmmar	b13a315cc1	integrals over r2 tested	2022-10-17 17:51:46 +02:00
AbdAmmar	dbbae1f990	list2, list3, j1b, grad_j1, lapl_j1b ok	2022-10-17 10:55:53 +02:00
AbdAmmar	4f0a0f68fc	u grad u with j1b added	2022-10-13 22:02:22 +02:00
AbdAmmar	fce9db0fce	u^2 j1b^2 added	2022-10-13 20:48:26 +02:00
AbdAmmar	b913277daa	1st term of grad2 added	2022-10-13 19:22:12 +02:00
AbdAmmar	7a4f732e15	1st version of grad + lapl of Jmu_modif	2022-10-12 11:24:09 +02:00
eginer	996c09d220	beginning to work on new jastrow	2022-10-10 18:20:33 +02:00
eginer	bdce53d8b1	added many files and did a lot of documentation for bi-ortho scf	2022-10-05 00:05:22 +02:00