diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 9940056e..3ad26112 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -543,12 +543,13 @@ end subroutine comb_step = 1d0/dfloat(comb_teeth) first_det_of_comb = 1 do i=1,N_det_generators - if(pt2_weight(i)/norm_left < comb_step*.25d0) then + if(pt2_weight(i)/norm_left < comb_step) then first_det_of_comb = i exit end if norm_left -= pt2_weight(i) end do + call write_int(6, first_det_of_comb-1, 'Size of deterministic set') comb_step = (1d0 - pt2_cweight(first_det_of_comb-1)) * comb_step