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.