sto_ng.F File Reference

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

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Modules
module	sto_ng

Functions/Subroutines
subroutine, public	sto_ng::get_sto_ng (zeta, n, nq, lq, alpha, coef)
	return STO-NG parameters; INPUT: zeta (Slater exponent) n (Expansion length) nq (principle quantum number) lq (angular quantum number) OUTPUT: alpha (n Gaussian exponents) coef (n corresponding expansion coefficients) More...