sisl.io.siesta.orbindxSileSiesta

class sisl.io.siesta.orbindxSileSiesta(filename, mode='r', comment=None, *args, **kwargs)

Bases: sisl.io.siesta.SileSiesta

Orbital information file

Methods

dir_file([filename, filename_base])	File of the current Sile
exist()	Query whether the file exists
read(*args, **kwargs)	Generic read method which should be overloaded in child-classes
read_basis([atoms])	Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file
read_supercell_nsc()	Reads the supercell number of supercell information
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
base_file	File of the current Sile
file	File of the current Sile

__init__(filename, mode='r', comment=None, *args, **kwargs)

property base_file

File of the current Sile

dir_file(filename=None, filename_base='')

File of the current Sile

exist()

Query whether the file exists

property file

File of the current Sile

read(*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_basis(atoms=None)

Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file

The specie names have a short field in the ORB_INDX file, hence the name may not necessarily be the same as provided in the species block

Parameters

atoms (Atoms, optional) – list of atoms used for the species index

read_supercell_nsc()

Reads the supercell number of supercell information

write(*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.