def __init__(self, matdynTask): QEDOS.__init__(self) self._freqs = None self._modes = None self._qpts = None self.axis = [] self.dos = [] self.matdynTask = matdynTask
def __init__(self, matdynTask, structure=None): QEDOS.__init__(self) self.structure = structure self._freqs = None self._modes = None self._qpts = None self.axis = [] self.dos = [] self.partdos = {} # OrderedDict on init in PartDOS {label: pdos} self.partdosElem = {} # OrderedDict on init in PartDOS {symbol: pdos} self.matdynTask = matdynTask