sisl.io.siesta.dmSileSiesta

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

Density matrix file

Methods

`base_directory`([relative_to])	Retrieve the base directory of the file, relative to the path relative_to
`dir_file`([filename, filename_base])	File of the current Sile
`read`(args, *kwargs)	Generic read method which should be overloaded in child-classes
`read_density_matrix`(**kwargs)	Returns the density matrix from the siesta.DM file
`write`(args, *kwargs)	Generic write method which should be overloaded in child-classes
`write_density_matrix`(DM, **kwargs)	Writes the density matrix to a siesta.DM file

Attributes

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

base_directory(relative_to='.'): Retrieve the base directory of the file, relative to the path relative_to

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_density_matrix(**kwargs) → DensityMatrix[source]

Returns the density matrix from the siesta.DM file

Parameters:

geometry (Geometry, optional) – attach a geometry object to the sparse matrix
overlap (SparseMatrix, optional) – attach the overlap matrix to the sparse matrix

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_density_matrix(DM, **kwargs)[source]: Writes the density matrix to a siesta.DM file