exchange_gradient Subroutine

public subroutine exchange_gradient(a, g, b, f, ex_gradient)

computes the gradient of the exchange potential part for HFS

Arguments

Type	Intent	Optional	Attributes		Name
type(atom_set),	intent(in)			::	a(:)
type(grid3d),	intent(in)			::	g
type(basis),	intent(in)			::	b
type(wf_data),	intent(in)			::	f
real(kind=long),	intent(out)			::	ex_gradient(size(a)*3)