def __init__(self, filename=None, config=None, setting=None, parse=True): self.qpoints = MatdynQpoints(self) QESInput.__init__(self, filename, config, type='matdyn', setting=setting, parse=parse)
def parse(self): """ Parses the configuration file and stores the values in qe dictionary Initializes structure as well""" #(self.header, self.namelists, self.cards, self.attach) = self.parser.parse() QESInput.parse(self) self.qpoints.parse()
def __init__(self, filename=None, config=None, setting = None, parse = True): self.qpoints = D3Qpoints(self) QESInput.__init__(self,filename, config, type='d3', setting = setting, parse = parse)
def __init__(self, filename=None, config=None, setting=None, parse=True): self.qpoints = PHQpoints(self) QESInput.__init__(self,filename, config, type = 'ph', setting = setting,\ parse = parse)