jarvis.io.qiskit.inputs
=======================

.. py:module:: jarvis.io.qiskit.inputs

.. autoapi-nested-parse::

   Module to solve Hermitian Matrix and predict badstructures.



Classes
-------

.. autoapisummary::

   jarvis.io.qiskit.inputs.HermitianSolver


Functions
---------

.. autoapisummary::

   jarvis.io.qiskit.inputs.decompose_Hamiltonian
   jarvis.io.qiskit.inputs.get_bandstruct
   jarvis.io.qiskit.inputs.get_dos


Module Contents
---------------

.. py:function:: decompose_Hamiltonian(H)

   Decompose Hermitian matrix into Pauli basis.


.. py:class:: HermitianSolver(mat=[], verbose=False)

   Bases: :py:obj:`object`


   Solve a Hermitian matrix using quantum algorithms.


   .. py:attribute:: mat


   .. py:attribute:: verbose
      :value: False



   .. py:method:: n_qubits()

      Get number of qubits required.



   .. py:method:: check_hermitian()

      Check if a matrix is Hermitian.



   .. py:method:: run_vqe(backend=Aer.get_backend('statevector_simulator'), var_form=None, optimizer=None, reps=None, mode='min_val')

      Run variational quantum eigensolver.



   .. py:method:: run_numpy()

      Obtain eigenvalues and vecs using Numpy solvers.



   .. py:method:: run_vqd(backend=Aer.get_backend('statevector_simulator'), var_form=None, optimizer=None, reps=2)

      Run variational quantum deflation.



.. py:function:: get_bandstruct(w=[], atoms={}, ef=0, line_density=1, ylabel='eV', font=22, var_form=None, filename='bands.png', savefig=True, neigs=None, max_nk=None, tol=None, factor=1, verbose=False)

   Compare bandstructures using quantum algos.


.. py:function:: get_dos(w=[], grid=[2, 1, 1], proj=None, efermi=0.0, xrange=None, nenergy=100, sig=0.02, use_dask=True, filename='dos.png', savefig=True)

   Get density of states.