def __init__(self, filename=None, config=None, type = 'pw', setting = None,\ parse = True): self._setting = setting if isinstance(filename, Setting): self._setting = filename if self._setting != None: fname = self._setting.get(type + 'Input') else: fname = filename QEInput.__init__(self, fname, config, type=type, parse=parse) if parse and (filename or config or setting): self.parse()
def __init__(self, filename=None, config=None, type = 'pw', setting = None,\ parse = True): self._setting = setting if isinstance(filename, Setting): self._setting = filename if self._setting != None: fname = self._setting.get( type + 'Input') else: fname = filename QEInput.__init__(self,fname, config, type = type, parse = parse) if parse and (filename or config or setting ): self.parse()
def __init__(self, filename=None, config=None): QEInput.__init__(self, filename, config, type='pw') self.structure = QEStructure(self) self.kpoints = PWKpoints(self)
def __init__(self, filename=None, config=None): QEInput.__init__(self,filename, config, type='ph') self.qpoints = PHQpoints(self)
def __init__(self, filename=None, config=None): QEInput.__init__(self,filename, config, type='matdyn') self.qpoints = MatdynQpoints(self)
def __init__(self, filename=None, config=None): QEInput.__init__(self,filename, config, type='d3') self.qpoints = D3Qpoints(self)
def __init__(self, filename=None, config=None): QEInput.__init__(self, filename, config, type='matdyn') self.qpoints = MatdynQpoints(self)
def __init__(self, filename=None, config=None): QEInput.__init__(self,filename, config, type='pw') self.structure = QEStructure(self) self.kpoints = PWKpoints(self)