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]