wrap¶
- wrap(configuration, indices, axes=None, min_length=None)¶
Wrap the atoms with indices into the cell.
- Parameters:
configuration (~.AtomicConfiguration) – The configuration containing the atoms.
indices (All | sequence of integers) – The indices of atoms that should be wrapped.
axes (tuple) – A Boolean triple specifying the axes that are wrapped.
min_length (~.PhysicalQuantity) – The smallest length in order for two atoms position to be different.
- Returns:
The wrapped configuration.
- Return type: