diff --git a/src/cipsi/pt2_stoch_routines.irp.f b/src/cipsi/pt2_stoch_routines.irp.f index 1d13c737..31f27e1d 100644 --- a/src/cipsi/pt2_stoch_routines.irp.f +++ b/src/cipsi/pt2_stoch_routines.irp.f @@ -287,9 +287,9 @@ subroutine ZMQ_pt2(E, pt2_data, pt2_data_err, relative_error, N_in) call omp_set_nested(.false.) - print '(A)', '========== ====================== ===================== ===================== ===========' + print '(A)', '========== ======================= ===================== ===================== ===========' print '(A)', ' Samples Energy Variance Norm^2 Seconds' - print '(A)', '========== ====================== ===================== ===================== ===========' + print '(A)', '========== ======================= ===================== ===================== ===========' PROVIDE global_selection_buffer @@ -312,7 +312,7 @@ subroutine ZMQ_pt2(E, pt2_data, pt2_data_err, relative_error, N_in) !$OMP END PARALLEL call end_parallel_job(zmq_to_qp_run_socket, zmq_socket_pull, 'pt2') - print '(A)', '========== ====================== ===================== ===================== ===========' + print '(A)', '========== ======================= ===================== ===================== ===========' do k=1,N_states pt2_overlap(pt2_stoch_istate,k) = pt2_data % overlap(k,pt2_stoch_istate) @@ -533,7 +533,7 @@ subroutine pt2_collector(zmq_socket_pull, E, relative_error, pt2_data, pt2_data_ if ((time - time1 > 1.d0) .or. (n==N_det_generators)) then time1 = time - print '(I10, X, F11.7, X, G10.3, X, F10.6, X, G10.3, X, F10.6, X, G10.3, X, F10.4)', c, & + print '(I10, X, F12.6, X, G10.3, X, F10.6, X, G10.3, X, F10.6, X, G10.3, X, F10.4)', c, & pt2_data % pt2(pt2_stoch_istate) +E, & pt2_data_err % pt2(pt2_stoch_istate), & pt2_data % variance(pt2_stoch_istate), &