sisl.io.siesta.dmSileSiesta
- class sisl.io.siesta.dmSileSiesta(filename, mode='r', *args, **kwargs)
Bases:
SileBinSiesta
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
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
- 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_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
- Return type:
- 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.