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)
