onlysSileSiesta

class sisl.io.siesta.onlysSileSiesta(filename, mode='r', *args, **kwargs)[source]

Geometry and overlap matrix

Attributes

base_file

File of the current Sile

file

File of the current Sile

Methods

__init__(self, filename[, mode])

Initialize self.

dir_file(self[, filename])

File of the current Sile

exist(self)

Query whether the file exists

read(self, \*args, \*\*kwargs)

Generic read method which should be overloaded in child-classes

read_geometry(self)

Returns Geometry object from a siesta.TSHS file

read_overlap(self, \*\*kwargs)

Returns the overlap matrix from the siesta.TSHS file

read_supercell(self)

Returns a SuperCell object from a siesta.TSHS file

write(self, \*args, \*\*kwargs)

Generic write method which should be overloaded in child-classes

property base_file

File of the current Sile

dir_file(self, filename=None)

File of the current Sile

exist(self)

Query whether the file exists

property file

File of the current Sile

read(self, *args, **kwargs)

Generic read method which should be overloaded in child-classes

Parameters
kwargs :

keyword arguments will try and search for the attribute read_<> and call it with the remaining **kwargs as arguments.

read_geometry(self)[source]

Returns Geometry object from a siesta.TSHS file

read_overlap(self, **kwargs)[source]

Returns the overlap matrix from the siesta.TSHS file

read_supercell(self)[source]

Returns a SuperCell object from a siesta.TSHS file

write(self, *args, **kwargs)

Generic write method which should be overloaded in child-classes

Parameters
**kwargs :

keyword arguments will try and search for the attribute write_ and call it with the remaining **kwargs as arguments.