def __init__( self, path = None, opts = "", sysopts = { "verbose" : False, "debug" : False } ): File.__init__( self, path, opts, sysopts ) self.geom = Geometry( 'xyz' ) self.species = {}
def __init__( self, path = None, opts = "", sysopts = { "verbose" : False, "debug" : False } ): File.__init__( self, path, opts, sysopts ) self.geom = Geometry( 'UPOT' ) self.reference = None