From 88cf5d23f19985ec7bca38db6445a2b1607fc063 Mon Sep 17 00:00:00 2001 From: eginer Date: Wed, 13 Mar 2024 11:20:03 +0100 Subject: [PATCH] changed print_tc_wf --- plugins/local/tc_bi_ortho/print_tc_wf.irp.f | 3 ++- plugins/local/tc_bi_ortho/psi_det_tc_sorted.irp.f | 4 ++++ 2 files changed, 6 insertions(+), 1 deletion(-) diff --git a/plugins/local/tc_bi_ortho/print_tc_wf.irp.f b/plugins/local/tc_bi_ortho/print_tc_wf.irp.f index c755485b..2b88bc5b 100644 --- a/plugins/local/tc_bi_ortho/print_tc_wf.irp.f +++ b/plugins/local/tc_bi_ortho/print_tc_wf.irp.f @@ -37,7 +37,8 @@ subroutine write_l_r_wf integer :: i print*,'Writing the left-right wf' do i = 1, N_det - write(i_unit_output,*)i, psi_l_coef_sorted_bi_ortho_left(i)/psi_l_coef_sorted_bi_ortho_left(1) & + write(i_unit_output,*)i, psi_coef_sorted_tc(i,1)/psi_coef_sorted_tc(i,1) & + , psi_l_coef_sorted_bi_ortho_left(i)/psi_l_coef_sorted_bi_ortho_left(1) & , psi_r_coef_sorted_bi_ortho_right(i)/psi_r_coef_sorted_bi_ortho_right(1) enddo diff --git a/plugins/local/tc_bi_ortho/psi_det_tc_sorted.irp.f b/plugins/local/tc_bi_ortho/psi_det_tc_sorted.irp.f index eef99de8..3996ca4c 100644 --- a/plugins/local/tc_bi_ortho/psi_det_tc_sorted.irp.f +++ b/plugins/local/tc_bi_ortho/psi_det_tc_sorted.irp.f @@ -25,6 +25,10 @@ BEGIN_PROVIDER [ double precision, psi_average_norm_contrib_tc, (psi_det_size) ] do i=1,N_det psi_average_norm_contrib_tc(i) = psi_average_norm_contrib_tc(i)*f enddo + f = 0.d0 + do i=1,N_det + f+= psi_average_norm_contrib_tc(i) + enddo END_PROVIDER