sisl.io.bigdft.asciiSileBigDFT

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

Bases: sisl.io.bigdft.SileBigDFT

ASCII file object for BigDFT

Methods

dir_file([filename, filename_base])	File of the current Sile
read(*args, **kwargs)	Generic read method which should be overloaded in child-classes
read_geometry()	Reads a supercell from the Sile
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_geometry(geom[, fmt])	Writes the geometry to the contained file
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

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_geometry()

Reads a supercell from the Sile

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.

write_geometry(geom, fmt='.8f')

Writes the geometry to the contained file