Separation of structures¶
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ase.build.
connected_indices
(atoms, index, dmax=None, scale=1.5)[source]¶ Find atoms connected to atoms[index] and return their indices.
If dmax is not None: Atoms are defined to be connected if they are nearer than dmax to each other.
If dmax is None: Atoms are defined to be connected if they are nearer than the sum of their covalent radii * scale to each other.
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ase.build.
connected_atoms
(atoms, index, dmax=None, scale=1.5)[source]¶ Find all atoms connected to atoms[index] and return them.