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 2b88bc5b..4d9f7c48 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 +37,7 @@ subroutine write_l_r_wf integer :: i print*,'Writing the left-right wf' do i = 1, N_det - write(i_unit_output,*)i, psi_coef_sorted_tc(i,1)/psi_coef_sorted_tc(i,1) & + write(i_unit_output,'(I8,X,10(F16.10,X))')i, psi_coef_sorted_tc(i,1),psi_coef_sorted_tc(i,1)/psi_coef_sorted_tc(1,1)& , 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/scripts/get_fci_tc_conv.sh b/scripts/get_fci_tc_conv.sh index 643f3ac0..f0c99baf 100755 --- a/scripts/get_fci_tc_conv.sh +++ b/scripts/get_fci_tc_conv.sh @@ -1,2 +1,2 @@ file=$1 -grep "Ndet,E,E+PT2,E+RPT2,|PT2|=" $file | cut -d "=" -f 2 > ${file}.conv_fci_tc +grep "Ndet,E,E+PT2,pt2_minus,pt2_plus,pt2_abs=" $file | cut -d "=" -f 2 > ${file}.conv_fci_tc