read_xsf
read_xsf(filepath)
Reads .turbomole 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:
-
ABCMolecule | XYZMolecule
–ABCMolecule object or XYZMolecule object containing structure data from .xsf file.