configure_mcscf Subroutine

   subroutine configure_mcscf(method, config)
      !! Configure a MCSCF method instance from config%mcscf
      class(qc_method_t), intent(inout) :: method
      type(method_config_t), intent(in) :: config

      select type (m => method)
      type is (mcscf_method_t)
         ! Common settings
         m%options%basis_set = config%basis_set
         m%options%spherical = config%use_spherical
         m%options%verbose = config%verbose

         ! Active space from config%mcscf
         m%options%n_active_electrons = config%mcscf%n_active_electrons
         m%options%n_active_orbitals = config%mcscf%n_active_orbitals
         m%options%n_inactive_orbitals = config%mcscf%n_inactive_orbitals

         ! State averaging
         m%options%n_states = config%mcscf%n_states
         if (allocated(config%mcscf%state_weights)) then
            if (allocated(m%options%state_weights)) deallocate (m%options%state_weights)
            allocate (m%options%state_weights(size(config%mcscf%state_weights)))
            m%options%state_weights = config%mcscf%state_weights
         end if

         ! Convergence
         m%options%max_macro_iter = config%mcscf%max_macro_iter
         m%options%max_micro_iter = config%mcscf%max_micro_iter
         m%options%orbital_tol = config%mcscf%orbital_convergence
         m%options%ci_tol = config%mcscf%ci_convergence

         ! PT2 corrections
         m%options%use_pt2 = config%mcscf%use_pt2
         m%options%pt2_type = config%mcscf%pt2_type
         m%options%ipea_shift = config%mcscf%ipea_shift
         m%options%imaginary_shift = config%mcscf%imaginary_shift
      end select
   end subroutine configure_mcscf