# """Orbital energies from a QM (e.g. orca) calculation. # Saves and displays both the full table and for convenience the absolute HOMO, absolute LUMO, and HOMO_LUMO_GAP # field_name: str = ...
filename (str): Path to the ORCA output file or CONTENT of the file if is_filename=False is_filename (bool): If True, treat 'filename' as a file path. If False, treat 'filename' as the content of the ...
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