From 172d38a04eeb98b0dd1fbfb96bc5b4de65b70af5 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 5 May 2017 16:11:11 +0200 Subject: [PATCH] Using 50 comb teeth in pt2 stoch --- plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index c6eb0c2a..03c93649 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -331,7 +331,7 @@ end function BEGIN_PROVIDER [ integer, comb_teeth ] implicit none - comb_teeth = 200 + comb_teeth = 50 END_PROVIDER @@ -543,7 +543,7 @@ 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) then + if(pt2_weight(i)/norm_left < 2.*comb_step) then first_det_of_comb = i exit end if