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How to use the ovito.data.DataCollection.create_from_ase_atoms function in ovito

To help you get started, we’ve selected a few ovito examples, based on popular ways it is used in public projects.

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pyiron / pyiron / pyiron / atomistics / structure / ovito.py View on Github

def analyse_ovito_voronoi_volume(atoms):
    """

    Args:
        atoms:

    Returns:

    """
    s.publication_add(publication())
    data = DataCollection.create_from_ase_atoms(atoms.copy())
    node = ObjectNode()
    node.source = data
    node.modifiers.append(VoronoiAnalysisModifier())
    output = node.compute()
    return output.particle_properties['Atomic Volume'].array