From f1be78d1a879087048a4b52fe2a04284d2851e79 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Mon, 18 Jun 2018 09:36:41 +0200 Subject: [PATCH] Trying to optimize pt2: --- plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 36ad63b2..7cb3aab1 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -570,7 +570,7 @@ END_PROVIDER comb_step = 1d0/dfloat(comb_teeth) first_det_of_comb = 1 do i=1,N_det_generators - if(pt2_weight(i)/norm_left < .25d0*comb_step) then + if(pt2_weight(i)/norm_left < .5d0*comb_step) then first_det_of_comb = i exit end if