17 Commits

Author	SHA1	Message	Date
Anthony Scemama	6ad2dd668f	Less memory with QMCkl Jastrow	2023-09-27 11:21:47 +02:00
Anthony Scemama	4cbe630ec5	Add many call provide in TC	2023-09-22 16:26:58 +02:00
AbdAmmar	bb155c0dfd	J_qmckl en & ee	2023-09-15 11:30:10 +02:00
AbdAmmar	1f56b5d0f4	num integ grad & grad squared	2023-09-05 11:52:08 +02:00
AbdAmmar	38f8b96d41	numerical integrals: 1 shot --> blocks over r2	2023-09-04 22:27:18 +02:00
AbdAmmar	bd8218a876	DUMP for TCHint added	2023-06-28 18:57:41 +02:00
Abdallah Ammar	2ef05d01c9	j1b_type 4/104 modif	2023-06-19 23:39:53 +02:00
eginer	4d9cdf9df1	added new mu(r) jastrow	2023-05-24 11:06:00 +02:00
Abdallah Ammar	b9732d78de	IPP astice: OK	2023-05-08 23:31:20 +02:00
Abdallah Ammar	402a6e8988	added jast_type 0	2023-05-07 12:44:59 +02:00
AbdAmmar	868d5a162b	jast 201 added	2023-05-06 18:25:06 +02:00
AbdAmmar	5eb3b69873	mu(r) added	2023-05-04 01:42:06 +02:00
Abdallah Ammar	4b1d384fb9	added Slater-type envelope	2023-05-02 19:01:25 +02:00
AbdAmmar	8b67dfbe76	fixed bug in tc-env	2023-04-28 10:21:58 +02:00
AbdAmmar	e1dc8b9ec3	added jast 104 & 105	2023-04-23 21:14:17 +02:00
Abdallah Ammar	195c7402cf	DGEMM added and tested for Be(VDZ)	2023-04-21 22:22:25 +02:00
Abdallah Ammar	333d8a551c	v0 tc integ numericall with DGEMM	2023-04-21 20:50:00 +02:00