ai_overlap3.F File Reference

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

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Modules
module	ai_overlap3

Functions/Subroutines
subroutine, public	ai_overlap3::overlap3 (la_max_set, npgfa, zeta, rpgfa, la_min_set, lb_max_set, npgfb, zetb, rpgfb, lb_min_set, lc_max_set, npgfc, zetc, rpgfc, lc_min_set, rab, dab, rac, dac, rbc, dbc, sabc, sdabc, sabdc, int_abc_ext)
	Calculation of three-center overlap integrals [a|b|c] over primitive Cartesian Gaussian functions.