ao_util.F File Reference

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

Go to the source code of this file.

Modules
module	ao_util
	All kind of helpful little routines.

Functions/Subroutines
real(kind=dp) function, public	ao_util::gauss_exponent (l, radius, threshold, prefactor)
	The exponent of a primitive Gaussian function for a given radius and threshold is calculated. More...
real(kind=dp) function, public	ao_util::exp_radius (l, alpha, threshold, prefactor, epsabs, epsrel, rlow)
	The radius of a primitive Gaussian function for a given threshold is calculated. g(r) = prefactor*r**l*exp(-alpha*r**2) - threshold = 0. More...
real(kind=dp) function, public	ao_util::exp_radius_very_extended (la_min, la_max, lb_min, lb_max, pab, o1, o2, ra, rb, rp, zetp, eps, prefactor, cutoff, epsabs)
	computes the radius of the Gaussian outside of which it is smaller than eps More...
real(dp) function, public	ao_util::gaussint_sph (alpha, l)
	... More...
pure real(dp) function, public	ao_util::trace_r_axb (A, lda, B, ldb, m, n)
	... More...