calculate_orbital_gradient_gto Subroutine

public subroutine calculate_orbital_gradient_gto(p, a, b, f, output)

calculates the gradients of orbital energies

Arguments

Type	Intent	Optional	Attributes		Name
type(param),	intent(in)			::	p
type(atom_set),	intent(in)			::	a(:)
type(basis),	intent(in)			::	b
type(wf_data),	intent(inout)			::	f
integer,	intent(in),	optional		::	output