shift
Full name: ase2sprkkr.ase.build.shift
- ase2sprkkr.ase.build.shift(atoms, shift, axis=2, wrap=True)[source]
Shift the atoms (to get the desired atom to the top/bottom of the cell).
- Parameters:
atoms (Atoms) – The atoms to shift their positions
shift (float | int | tuple | list | ndarray | None) – If a vector is given, add it to the positions. If a float is given, shift byt the given fraction of the given axis If an integer is given, shift so that the given atom is at [0,0,0]