def __init__(self, **kwargs): MASTobj.__init__(self, **kwargs) # self.program_data will hold any data that is retrieved from the output self.program_data = dict() self.program_keys, self.derived_keys = self.split_keywords(**kwargs)
def __init__(self, **kwargs): MASTobj.__init__(self, allowed_keys, **kwargs) self.wyckoff_sites = self.read_sites(self.keywords['spacegroup'])