oqp.quantum
===========

.. py:module:: oqp.quantum

.. autoapi-nested-parse::

   .. code-block:: text

      Quantum-computing bridge for OpenQP.

      Export an OpenQP mean-field calculation as a second-quantized molecular
      Hamiltonian / FCIDUMP, ready for quantum-computing electronic-structure
      toolkits (Qiskit Nature, OpenFermion, Block2, ...).

      Typical use::

          from oqp.quantum import from_openqp

          ham = from_openqp(mol, eri_ao=eri)   # eri = AO two-electron integrals
          ham.to_fcidump("molecule.FCIDUMP")

      The integral-transform and FCIDUMP I/O helpers
      (:mod:`oqp.quantum.integrals`, :mod:`oqp.quantum.fcidump`) have no dependency
      on the compiled ``oqp`` extension and can be used stand-alone.



Submodules
----------

.. toctree::
   :maxdepth: 1

   /api/oqp/quantum/fcidump/index
   /api/oqp/quantum/hamiltonian/index
   /api/oqp/quantum/integrals/index