Did I find the right examples for you? yes no      Crawl my project      Python Jobs

All Samples(1)  |  Call(1)  |  Derive(0)  |  Import(0)

src/r/m/RMG-Py-HEAD/rmgpy/qm/gaussian.py   RMG-Py(Download)
        """
        parser = cclib.parser.Gaussian(self.outputFilePath)
        parser.logger.setLevel(logging.ERROR) #cf. http://cclib.sourceforge.net/wiki/index.php/Using_cclib#Additional_information
        cclibData = parser.parse()
        radicalNumber = sum([i.radicalElectrons for i in self.molecule.atoms])