subroutine run_cisd implicit none integer :: i if(pseudo_sym)then call H_apply_cisd_sym else call H_apply_cisd endif print *, 'N_det = ', N_det print*,'******************************' print *, 'Energies of the states:' do i = 1,N_states print *, i, CI_energy(i) enddo if (N_states > 1) then print*,'******************************' print*,'Excitation energies ' do i = 2, N_states print*, i ,CI_energy(i) - CI_energy(1) enddo endif psi_coef = ci_eigenvectors SOFT_TOUCH psi_coef call save_wavefunction call ezfio_set_cisd_energy(CI_energy) end