PoreMS 0.2
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        • Store.grid

    Store.grid¶

    Store.grid(self, name='', charges={'si': 1.28, 'om': -0.64})¶

    Store the grid.itp file containing the necessary parameters and charges of the grid molecules.

    Parameters:
    name : string, optional

    Filename

    charges : dictionary, optional

    Dictionary of charges for silicon and oxygen atoms

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    © Copyright 2021, Hamzeh Kraus.
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