From 4103b1d3e1985140a13511f71f9ae037f4636b0e Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 12 Apr 2017 15:32:02 +0200 Subject: [PATCH] Bug in pt2 stoch --- plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 1 + 1 file changed, 1 insertion(+) diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index fe13390d..19cc5988 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -523,6 +523,7 @@ end subroutine norm_left = 1d0 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*.5d0) then first_det_of_comb = i