def _parse(self):
        """
        Parse the ADF outputs. There are two files: one is 'logfile', the other
        is the ADF output file. The final energy and structures are parsed from
        the 'logfile'. Frequencies and normal modes are parsed from the ADF
        output file.
        """
        workdir = os.path.dirname(self.filename)
        logfile = os.path.join(workdir, "logfile")
        if not os.path.isfile(logfile):
            raise IOError("The ADF logfile can not be accessed!")

        self.is_failed = False
        self.error = None
        self.final_energy = None
        self.final_structure = None
        self.energies = []
        self.structures = []
        self.frequencies = []
        self.normal_modes = None
        self.freq_type = None
        self.run_type = None
        self.is_internal_crash = False

        self._parse_logfile(logfile)
        if not self.is_failed and self.run_type != "SinglePoint":
            self._parse_adf_output()
def _parse ( self ) : workdir = os . path . dirname ( self . filename ) logfile = os . path . join ( workdir , "logfile" ) if not os . path . isfile ( logfile ) : raise IOError ( "The ADF logfile can not be accessed!" ) self . is_failed = False self . error = None self . final_energy = None self . final_structure = None self . energies = [ ] self . structures = [ ] self . frequencies = [ ] self . normal_modes = None self . freq_type = None self . run_type = None self . is_internal_crash = False self . _parse_logfile ( logfile ) if not self . is_failed and self . run_type != "SinglePoint" : self . _parse_adf_output ( )
Parse the ADF outputs. There are two files: one is 'logfile', the other
        is the ADF output file. The final energy and structures are parsed from
        the 'logfile'. Frequencies and normal modes are parsed from the ADF
        output file.