xmolecule_excitation_energies Subroutine

public subroutine xmolecule_excitation_energies(xdata_cptr, occs, energies, l_e, l_occ) bind(c)

returns excitation energies based on MO energies

Arguments

Type	Intent	Optional	Attributes		Name
type(c_ptr),	intent(inout)			::	xdata_cptr
integer(kind=c_int),	intent(inout)			::	occs(l_occ,l_e)
real(kind=c_double),	intent(inout)			::	energies(l_e)
integer(kind=c_int),	intent(inout)			::	l_e
integer(kind=c_int),	intent(inout)			::	l_occ