sisl.physics.DensityMatrix
==========================















.. currentmodule:: sisl.physics

.. autoclass:: DensityMatrix







   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         


   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
      
         
      
         
      
         

   
      
         
            
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         

   
      
      
         
      
         
      
         











   .. rubric:: Plotting

   .. autosummary::
      :removeprefix: DensityMatrix.

      DensityMatrix.plot
      





   

   

   

   

   

   

   

   

   

   

   

   

   


   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   
      
      DensityMatrix.plot.atomicmatrix

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   

   








   .. rubric:: Methods

   .. autosummary::
      





   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.Dk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.Rij

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.Sk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.add

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.append

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.astype

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.bond_order

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.construct

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.copy

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.create_construct

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.dDk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.dSk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.ddDk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.ddSk

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.density

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.edges

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.eig

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.eigh

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.eigsh

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.eliminate_zeros

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.empty

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.finalize

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.fromsp

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.iter_nnz

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.iter_orbitals

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.mulliken

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.nonzero

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.orbital_momentum

   

   

   
   

   
      
         
      
      
      

   

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.prepend

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.prune_range

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.read

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.remove

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.remove_orbital

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.repeat

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.replace

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.reset

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.rij

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.set_nsc

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.spalign

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.spin_align

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.spin_rotate

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.spsame

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.sub

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.sub_orbital

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.swap

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.tile

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.toSparseAtom

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.tocsr

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.transform

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.translate2uc

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.transpose

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.trs

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.unrepeat

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.untile

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.write




   .. rubric:: Attributes

   .. autosummary::
      





   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.D

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.S

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.dim

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.dkind

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.dtype

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.finalized

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.geometry

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.nnz

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.non_orthogonal

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.orthogonal

   

   

   
   
      
      

   
      
      
      
      

   

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.shape

   

   

   
   

   
      
      
      
      

   
      
   
      ~DensityMatrix.spin