xmolecule_cis_energies Subroutine

public subroutine xmolecule_cis_energies(xdata_cptr, energies, l_e) bind(c)

returns CIS excitation energies

Arguments

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