program print_energy implicit none BEGIN_DOC ! Prints the energy of the wave function stored in the |EZFIO| directory. END_DOC ! this has to be done in order to be sure that N_det, psi_det and ! psi_coef_sorted are the wave function stored in the |EZFIO| directory. read_wf = .True. touch read_wf PROVIDE N_states call run end subroutine run implicit none call print_mol_properties print *, psi_energy + nuclear_repulsion end