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'])