orbindxSileSiesta¶
-
class
sisl.io.siesta.
orbindxSileSiesta
(filename, mode='r', comment=None, *args, **kwargs)[source]¶ Orbital information file
Attributes
File of the current Sile
File of the current Sile
Methods
__init__
(self, filename[, mode, comment])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_basis
(self)Returns a set of atoms corresponding to the basis-sets in the ORB_INDX file
read_supercell_nsc
(self)Reads the supercell number of supercell information
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_basis
(self)[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
(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.
-
property