From a398c0a0c2542ba89fcafe1f18a01e3c2ca179b4 Mon Sep 17 00:00:00 2001
From: bernadette <b.j.mohr@uva.nl>
Date: Mon, 4 Nov 2024 10:37:09 +0100
Subject: [PATCH] Fix shape mismatch of bond_list in model_system (#145)

Co-authored-by: Bernadette Mohr <bernadette.mohr@physik.hu-berlin.de>
---
 src/nomad_simulations/schema_packages/model_system.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/nomad_simulations/schema_packages/model_system.py b/src/nomad_simulations/schema_packages/model_system.py
index d47bf673..66364d5e 100644
--- a/src/nomad_simulations/schema_packages/model_system.py
+++ b/src/nomad_simulations/schema_packages/model_system.py
@@ -1082,6 +1082,7 @@ class ModelSystem(System):
     # TODO improve description and add an example using the case in atom_indices
     bond_list = Quantity(
         type=np.int32,
+        shape=['*', 2],
         description="""
         List of pairs of atom indices corresponding to bonds (e.g., as defined by a force field)
         within this atoms_group.