coflandscaper.Mace

class coflandscaper.Mace(device='cpu', dtype='float64', head='spice_wB97M', model=None, verbose=True)

Base helper for constructing MACE calculators with normalized settings.

Returns:

None.

Parameters:

• device (str)

• dtype (str)

• head (str)

• model (str | None)

• verbose (bool)