free_scattering_gbl Module Reference

Functions/Subroutines
subroutine, public	free_scattering (mo_integral_storage, molecular_orbital_basis, a, min_energy, max_energy, ne)
	Performs the free potential scattering given the location of the transformed overlap and kinetic energy integrals, orbital basis set and R-matrix radius.

Function/Subroutine Documentation

free_scattering()

subroutine, public free_scattering_gbl::free_scattering	(	type(integral_storage_obj), intent(inout)	mo_integral_storage,
		type(molecular_orbital_basis_obj), intent(inout)	molecular_orbital_basis,
		real(kind=cfp), intent(in)	a,
		real(kind=cfp), intent(in)	min_energy,
		real(kind=cfp), intent(in)	max_energy,
		integer, intent(in)	ne )

Performs the free potential scattering given the location of the transformed overlap and kinetic energy integrals, orbital basis set and R-matrix radius.

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