8 Commits

Author	SHA1	Message	Date
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	5b6ecfa564	Improve thread-safety	2023-04-17 17:03:16 +02:00
eginer	766fabf1d2	point charges work	2023-02-07 12:50:33 +01:00
Anthony Scemama	a90b446beb	Fixed floating-point exceptions	2020-05-25 19:22:10 +02:00
Anthony Scemama	9c52a612dd	Interatomic distance	2020-05-25 09:29:57 +02:00
Anthony Scemama	c614cb3922	Fixed conversion	2020-05-15 15:12:39 +02:00
Anthony Scemama	bf96d8c0c8	Renamed disk_access_nuclear_repulsion	2019-07-23 14:54:03 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00