cp2kdata.cell module#

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

copy()[source]#
get_cell_angles()[source]#
get_cell_lengths()[source]#
get_cell_param()[source]#
get_dv()[source]#
get_volume()[source]#