ai_overlap_aabb.F File Reference

#include "../base/base_uses.f90"

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Modules
module	ai_overlap_aabb
	Calculation of the overlap integrals over Cartesian Gaussian-type functions.

Functions/Subroutines
subroutine, public	ai_overlap_aabb::overlap_aabb (la_max_set1, la_min_set1, npgfa1, rpgfa1, zeta1, la_max_set2, la_min_set2, npgfa2, rpgfa2, zeta2, lb_max_set1, lb_min_set1, npgfb1, rpgfb1, zetb1, lb_max_set2, lb_min_set2, npgfb2, rpgfb2, zetb2, asets_equal, bsets_equal, rab, dab, saabb, s, lds)
	Purpose: Calculation of the two-center overlap integrals [aa|bb] over Cartesian Gaussian-type functions. More...