Reference XYZMolecule XYZMolecule.generate_supercell

XYZMolecule.generate_supercell

generate_supercell(x, y, z, inplace=False)

Method returns a supercell of the structure.

Parameters:

• x (int >= 1) –

  Amount in the x direction the structure will be multiplied by.

• y (int >= 1) –

  Amount in the y direction the structure will be multiplied by.

• z (int >= 1) –

  Amount in the z direction the structure will be multiplied by.

• inplace (bool, default: False ) –

  If True, perform operation in-place.

Returns:

• XYZMolecule –

  XYZMolecule object of generated supercell.