Reference Functions read_xyz

read_xyz

read_xyz(filepath, debug_print=False)

Reads .xyz file and returns XYZMolecule instance.

Parameters:

• filepath (str) –

  Filename (if in current working directory) or absolute path or os.path.join(os.getcwd(),'filename.xyz').

Returns:

• XYZMolecule –

  XYZMolecule object containing structure data from .xyz file.