tsdeSileSiesta

class sisl.io.siesta.tsdeSileSiesta(filename, mode='r', *args, **kwargs)

Non-equilibrium density matrix and energy density matrix file

Attributes

base_file	File of the current Sile
file	File of the current Sile

Methods

__init__(self, filename[, mode])	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_density_matrix(self, \*\*kwargs)	Returns the density matrix from the siesta.DM file
read_energy_density_matrix(self, \*\*kwargs)	Returns the energy density matrix from the siesta.DM file
write(self, \*args, \*\*kwargs)	Generic write method which should be overloaded in child-classes
write_density_matrix(self, DM, \*\*kwargs)	Writes the density matrix to a siesta.DM file

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_density_matrix(self, **kwargs)

Returns the density matrix from the siesta.DM file

read_energy_density_matrix(self, **kwargs)

Returns the energy density matrix from the siesta.DM file

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.

write_density_matrix(self, DM, **kwargs)

Writes the density matrix to a siesta.DM file