From bfeb09d78378e1d2f5ec9c9f7f3d4c1e2b6651cf Mon Sep 17 00:00:00 2001
From: pfloos <pierrefrancois.loos@gmail.com>
Date: Wed, 15 Nov 2023 22:32:45 +0100
Subject: [PATCH] saving work

---
 src/HF/print_GHF.f90 | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/HF/print_GHF.f90 b/src/HF/print_GHF.f90
index 0643a7f..b140b42 100644
--- a/src/HF/print_GHF.f90
+++ b/src/HF/print_GHF.f90
@@ -85,6 +85,8 @@ subroutine print_GHF(nBas,nBas2,nO,eHF,C,P,S,ENuc,ET,EV,EJ,EK,EGHF,dipole)
   Sx2 = 0.25d0*trace_matrix(nO,Paa+Pbb) + 0.25d0*trace_matrix(nO,Pab+Pba)**2 &
       - 0.5d0*trace_matrix(nO,matmul(Paa,Pbb) + matmul(Pab,Pab))
 
+  Sx2 = trace_matrix(
+
   Sy2 = 0.25d0*trace_matrix(nO,Paa+Pbb) - 0.25d0*trace_matrix(nO,Pab-Pba)**2 &
       - 0.5d0*trace_matrix(nO,matmul(Paa,Pbb) - matmul(Pab,Pab))