PoreMS 0.2
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        • Molecule._vector

    Molecule._vector¶

    Molecule._vector(self, pos_a, pos_b)¶

    Calculate the vector between to two positions as defined in porems.geometry.vector with the addition to define the inputs as atom indices.

    Parameters:
    pos_a : integer, list

    First position \(\boldsymbol{a}\)

    pos_b : integer, list

    Second position \(\boldsymbol{b}\)

    Returns:
    vector : list

    Bond vector

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    © Copyright 2021, Hamzeh Kraus.
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