! Update the CI state average energy ! Computes the state average energy ! \begin{align*} ! E =\sum_{i=1}^{N_{states}} E_i . w_i ! \end{align*} ! $E_i$: energy of state i ! $w_i$: weight of state i subroutine update_st_av_ci_energy(energy) implicit none double precision, intent(out) :: energy integer :: i energy = 0d0 do i = 1, N_states energy = energy + ci_energy(i) * state_average_weight(i) enddo print*, 'ci_energy :', energy end