diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 1be690e0..a4510e1f 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -116,6 +116,9 @@ subroutine ZMQ_pt2(E, pt2,relative_error, absolute_error, error) deallocate(pt2_detail, comb, computed, tbc) enddo pt2_stoch_istate = 1 + w(:) = 1.d0/N_states + call update_psi_average_norm_contrib(w) + SOFT_TOUCH psi_average_norm_contrib endif end subroutine