diff --git a/plugins/Full_CI_ZMQ/fci_zmq.irp.f b/plugins/Full_CI_ZMQ/fci_zmq.irp.f index 9337834f..d91e7a0a 100644 --- a/plugins/Full_CI_ZMQ/fci_zmq.irp.f +++ b/plugins/Full_CI_ZMQ/fci_zmq.irp.f @@ -64,13 +64,17 @@ program fci_zmq ENDIF - print *, 'N_det = ', N_det - print *, 'N_states = ', N_states + print *, 'N_det = ', N_det + print *, 'N_states = ', N_states + IF (correlation_energy_ratio_max .NE. 1.d0) THEN + print*, 'correlation_ratio = ', correlation_energy_var + ENDDO + do k=1, N_states print*,'State ',k - print *, 'PT2 = ', pt2(k) - print *, 'E = ', CI_energy(k) - print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k) + print *, 'PT2 = ', pt2(k) + print *, 'E = ', CI_energy(k) + print *, 'E(before)+PT2 = ', E_CI_before(k)+pt2(k) enddo print *, '-----' if(N_states.gt.1)then