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
Reads the supercell number of supercell information
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
File of the current Sile
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)[source]¶
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
- 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.