From d64dfb3d5959ae63296482b867149adc6c8199a8 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Tue, 18 Apr 2023 12:45:15 +0200
Subject: [PATCH] Python -> Python3

---
 src/hartree_fock/10.hf.bats | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/hartree_fock/10.hf.bats b/src/hartree_fock/10.hf.bats
index df566032..85e98ecc 100644
--- a/src/hartree_fock/10.hf.bats
+++ b/src/hartree_fock/10.hf.bats
@@ -39,7 +39,7 @@ rm -rf $EZFIO
 qp create_ezfio -b def2-svp hcn.xyz -o $EZFIO
 qp run scf
 mv hcn_charges.xyz ${EZFIO}_point_charges.xyz
-python write_pt_charges.py ${EZFIO}
+python3 write_pt_charges.py ${EZFIO}
 qp set nuclei point_charges True
 qp run scf | tee ${EZFIO}.pt_charges.out
   energy="$(ezfio get hartree_fock energy)"