From 2b1d6bc9fcc3f469630b5652b0f8ef4f8700bbef Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 8 Dec 2017 09:45:18 +0100 Subject: [PATCH] Cleaning --- plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 906b14d2..5848cec0 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -141,10 +141,7 @@ 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 + FREE psi_average_norm_contrib pt2_stoch_istate endif do k=N_det+1,N_states pt2(k) = 0.d0