10 Commits

Author	SHA1	Message	Date
AbdAmmar	7aafe6c132	added Coulomb integ for general cGTOs	2024-10-14 19:11:43 +02:00
AbdAmmar	6edaaef524	cosgtos -> cgtos	2024-10-14 13:36:09 +02:00
eginer	bb23d6a5b5	Fixed the pt_charges bug: ... + added the pt_charges integrals to the usual v_ne + added only the nuclei_pt_charge interaction to the usual nuclear_repulsion (and not the pt_charge_pt_charge interaction)	2023-06-12 13:36:01 +02:00
Anthony Scemama	6971bf186c	Accelerated multiply_poly	2023-06-01 21:42:02 +02:00
Abdallah Ammar	3c161384cc	cos x GTOs integ added	2023-03-04 17:49:48 +01:00
eginer	766fabf1d2	point charges work	2023-02-07 12:50:33 +01:00
Michel Caffarel	329bcf805b	Fixed schwartz screening when integrals are read	2020-05-12 22:48:37 +02:00
Emmanuel Giner	4df9ebf4e0	moved pseudo from h_core to v_e_n in order to make it clean for DFT	2020-04-24 16:11:11 +02:00
Anthony Scemama	46d61b4117	Added imaginary EZFIO arrays for one-e	2019-12-02 18:18:30 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00