subroutine save_energy(E,pt2) implicit none BEGIN_DOC ! Saves the energy in |EZFIO|. END_DOC double precision, intent(in) :: E(N_states), pt2(N_states) call ezfio_set_casscf_cipsi_energy(E(1:N_states)) call ezfio_set_casscf_cipsi_energy_pt2(E(1:N_states)+pt2(1:N_states)) end