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        • Molecule.bond

    Molecule.bond¶

    Molecule.bond(self, inp_a, inp_b)¶

    Return the bond vector of a specified bond. The two inputs can either be atom indices or to vectoral positions.

    Parameters:
    inp_a : integer, list

    Either an atom id or a position vector

    inp_b : integer, list

    Either an atom id or a position vector

    Returns:
    bond : list

    Bond vector

    Examples

    mol.bond(0, 1)
    mol.bond(*[0, 1])
    mol.bond([1, 0, 0], [0, 0, 0])
    

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    © Copyright 2021, Hamzeh Kraus.
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