aperiodic_times

Full name: ase2sprkkr.ase.build.aperiodic_times

ase2sprkkr.ase.build.aperiodic_times(atoms, times, axis=None, direction=[1, 1, 1])

Multiply (repeat) the atoms in the same way as atoms __mult__ operator.

However, it accepts floats, too, to add only a part of a last repeated cell.

Parameters

• atoms (Atoms) – The atoms to be repeated

• times (Union[int, float, List[Union[int, float]]]) – List of three integers or floats, that say, how many times should be the atoms repeated along given axis. If only one integer/float is given, that it is used for all axes, unless the axis argument is given. Float with a decimal part means, that the last (or first, see the direction argument) cell won’t be added as whole, but only its part will be added.

• axis (Optional[int]) – If it is not None, the atoms are repeated

• direction (Union[List[int], int]) – Integer or list of integers (one for each axis). If it is negative, the partial cell will be added on the begin of stacked cell, for the given axis. Otherwise, the partial cell