oqp.interop.parsers
===================

.. py:module:: oqp.interop.parsers

.. autoapi-nested-parse::

   .. code-block:: text

      Parsers that normalize external-code excited-state results for comparison.

      * :func:`parse_output` wraps cclib to read Gaussian/ORCA/Q-Chem/... output files.
      * :func:`parse_pyscf_tddft` reads a PySCF TDDFT object's native attributes.
      * :func:`parse_oqp` reads an OQP run (in-process molecule or results dict).

      All return a normalized dict::

          {'scf_energy_ha', 'excitation_energies_ev', 'oscillator_strengths',
           'mo_energies_ev'}



Functions
---------

.. autoapisummary::

   oqp.interop.parsers.parse_output
   oqp.interop.parsers.parse_pyscf_tddft
   oqp.interop.parsers.parse_oqp


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

.. py:function:: parse_output(path, program=None)

   .. code-block:: text

      Parse a quantum-chemistry output file with cclib (Gaussian/ORCA/Q-Chem...).

      ``program`` (e.g. "gaussian") forces a specific cclib parser, bypassing
      cclib's file-type auto-detection (useful for partial/synthetic logs).


.. py:function:: parse_pyscf_tddft(td, mf=None)

   .. code-block:: text

      Read excitation energies / oscillator strengths from a PySCF TDDFT object.


.. py:function:: parse_oqp(mol, states=None)

   .. code-block:: text

      Normalize an in-process OQP molecule (and optional MRSFExcitedStates).