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cp2kdata.cell module
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class cp2kdata.cell.Cp2kCell(cell_param: ndarray[Any, dtype[float64]], grid_point: Optional[ndarray[Any, dtype[int64]]] = None, grid_spacing_matrix: Optional[ndarray[Any, dtype[float64]]] = None)[source]
Bases: object
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copy()[source]
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get_cell_angles()[source]
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get_cell_lengths()[source]
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get_cell_param()[source]
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get_dv()[source]
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get_volume()[source]