CP2K 2.4 (Revision 12889)
Namespaces | Functions | Variables

ai_fermi_contact.f90 File Reference

#include "cp_common_uses.h"
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Namespaces

namespace  ai_fermi_contact
 

Calculation of the Fermi contact integrals over Cartesian Gaussian-type functions.


Functions

subroutine, public ai_fermi_contact::fermi_contact (la_max, la_min, npgfa, rpgfa, zeta, lb_max, lb_min, npgfb, rpgfb, zetb, rac, rbc, dab, fcab, ldfc)
 Purpose: Calculation of the two-center Fermi contact integrals 4/3*pi*[a|delta(r-c)|b] over Cartesian Gaussian-type functions.

Variables

CHARACTER(len=*), parameter,
private 
ai_fermi_contact::moduleN = 'ai_fermi_contact'