sisl.io.siesta.orbindxSileSiesta
- class sisl.io.siesta.orbindxSileSiesta(filename, *args, **kwargs)
Bases:
SileSiesta
Orbital information file
Methods
base_directory
([relative_to])Retrieve the base directory of the file, relative to the path relative_to
close
()dir_file
([filename, filename_base])File of the current Sile
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', *args, **kwargs)
Just to pass away the args and kwargs
- base_directory(relative_to='.')
Retrieve the base directory of the file, relative to the path relative_to
- property base_file
File of the current Sile
- close()
- dir_file(filename=None, filename_base='')
File of the current Sile
- 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: Atoms | Geometry | None = None) Atoms [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
- 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.