calculate_cis_gradient_gto Subroutine

public subroutine calculate_cis_gradient_gto(p, a, b, f, state, gradients_out, nacs_out, yes_calc_nacs, output)

this subroutine calculates CIS gradient

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)			::	state
real(kind=long),		optional		::	gradients_out(:)
real(kind=long),		optional		::	nacs_out(:,:,:)
logical,		optional		::	yes_calc_nacs
integer,	intent(in),	optional		::	output