def __init__( self, path = None, opts = "", sysopts = { "verbose" : False, "debug" : False } ):
File.__init__( self, path, opts, sysopts )
self.geom = Geometry( 'CHGCAR' )
self.species = {}
self._natom = 0
self.voldata = {}
self.volcol = 5
def __init__(self, path=None, opts="", sysopts={"verbose": False, "debug": False}):
File.__init__(self, path, opts, sysopts)
self.geom = Geometry("SCCOUT")
self.species = {}
def __init__( self, path = None, opts = "", sysopts = { "verbose" : False, "debug" : False } ):
File.__init__( self, path, opts, sysopts )
self.alpha = {}
self.beta = {}
def __init__( self, path = None, opts = "", sysopts = { "verbose" : False, "debug" : False } ):
File.__init__( self, path, opts, sysopts )
self.geom = Geometry( 'UPOT' )
self.reference_upot = None