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Fixed wrong shape of bond_list in model_system
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Bernadette-Mohr committed Oct 24, 2024
1 parent ed21371 commit da38c46
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1 change: 1 addition & 0 deletions src/nomad_simulations/schema_packages/model_system.py
Original file line number Diff line number Diff line change
Expand Up @@ -1180,6 +1180,7 @@ 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.
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