stko.OrcaResults

class stko.OrcaResults(generator, output_file, extractor=<class 'stko._internal.calculators.extractors.orca_extractor.OrcaExtractor'>)

Bases: object

Results class containing molecule Orca properties.

Methods

get_total_energy

Parameters:

• generator (Iterable)

• output_file (Path | str)

• extractor (type)

get_total_energy()

Return type:

tuple[float, str]