From 152ffee4021ec7775048aeff2ff63c24890d6401 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 10 Jul 2020 01:10:26 +0200
Subject: [PATCH] Cleaning

---
 MOBasis/Localisation.ml | 14 +++-----------
 1 file changed, 3 insertions(+), 11 deletions(-)

diff --git a/MOBasis/Localisation.ml b/MOBasis/Localisation.ml
index 9985fd1..153ed9b 100644
--- a/MOBasis/Localisation.ml
+++ b/MOBasis/Localisation.ml
@@ -1253,20 +1253,12 @@ let localize mo_basis =
           Multipole.matrix_z multipoles
           |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:mat
       in
-      let phi_x2_phi =
-          Multipole.matrix_x2 multipoles
-          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:mat
-      in
-      let phi_y2_phi =
-          Multipole.matrix_y2 multipoles
-          |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:mat
-      in
-      let phi_z2_phi =
-          Multipole.matrix_z2 multipoles
+      let phi_r2_phi =
+          Multipole.matrix_r2 multipoles
           |> MOBasis.mo_matrix_of_ao_matrix ~mo_coef:mat
       in
       Vec.init n_mo (fun i ->
-      phi_x2_phi.{i,i} -. phi_x_phi.{i,i}**2. +. phi_y2_phi.{i,i} -. phi_y_phi.{i,i}**2. +. phi_z2_phi.{i,i} -. phi_z_phi.{i,i}**2.))
+      phi_r2_phi.{i,i} -. phi_x_phi.{i,i}**2. -. phi_y_phi.{i,i}**2. -. phi_z_phi.{i,i}**2.))
   in
 
   (* Sorting function *)