oqp.library.ints_2e
===================

.. py:module:: oqp.library.ints_2e


Functions
---------

.. autoapisummary::

   oqp.library.ints_2e.ints_2e
   oqp.library.ints_2e.eri_ao


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

.. py:function:: ints_2e(mol)

   .. code-block:: text

      Compute the two-electron repulsion integrals (ERIs) in the AO basis.

      Populates the ``OQP::ERI_AO`` tag with the full ``nbf**4`` tensor of
      integrals ``(mu nu|la si)`` in chemist notation. This is the conventional
      in-core path (memory grows as ``nbf**4``); it targets small active systems
      for FCIDUMP / quantum-computing export rather than production SCF.


.. py:function:: eri_ao(mol, recompute=True)

   .. code-block:: text

      Return dense AO two-electron integrals in chemist notation.

      By default this recomputes ``OQP::ERI_AO`` on every call.  A same-size tag
      may belong to an earlier geometry/calculation on the same ``Molecule`` and
      would silently mix stale ERIs with current one-electron data.  Set
      ``recompute=False`` only when the caller has explicitly managed cache
      validity.