generic_shg_integrals_init.F File Reference

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

Go to the source code of this file.

Modules
module	generic_shg_integrals_init
	Initialization for solid harmonic Gaussian (SHG) integral scheme. Scheme for calculation of contracted, spherical Gaussian integrals using the solid harmonics. Initialization of the contraction matrices.

Functions/Subroutines
subroutine, public	generic_shg_integrals_init::contraction_matrix_shg (basis, scon_shg)
	contraction matrix for SHG integrals
subroutine, public	generic_shg_integrals_init::contraction_matrix_shg_mix (orb_basis, ri_basis, orb_index, ri_index, scon_mix)
	mixed contraction matrix for SHG integrals [aba] and [abb] for orbital and ri basis at the same atom
subroutine, public	generic_shg_integrals_init::contraction_matrix_shg_rx2m (basis, m, scon_shg, scon_rx2m)
	...
subroutine, public	generic_shg_integrals_init::get_clebsch_gordon_coefficients (my_cg, cg_none0_list, ncg_none0, maxl1, maxl2)
	calculate the Clebsch-Gordon (CG) coefficients for expansion of the product of two spherical harmonic Gaussians