Reference XYZCoord

XYZCoord

XYZCoord(sp, x, y, z)

Dataclass for atomic coordinates for use in XYZMolecule class.

Parameters:

• sp (str) –

  Species of atom.

• x (float) –

  x coordinate position of atom.

• y (float) –

  y coordinate position of atom.

• z (float) –

  z coordinate position of atom.

Returns:

• XYZCoord –

  XYZCoord object containing data from defined arguments.