.. include:: /autodoc_abbr_options_c.rst

.. _`sec:driver`:

=============
Python Driver
=============

wrapper_database
================

.. automodule:: wrapper_database
   :members:
   :undoc-members:
   :exclude-members: db, database

diatomic
========

.. automodule:: diatomic
   :members:
   :undoc-members:
   :exclude-members: anharmonicity

pcm_placeholder
===============

.. automodule:: pcm_placeholder
   :members:
   :undoc-members:

dependency_check
================

.. automodule:: dependency_check
   :members:
   :undoc-members:

gaussian_n
==========

.. automodule:: gaussian_n
   :members:
   :undoc-members:


frac
====

.. automodule:: frac
   :members:
   :undoc-members:

molutil
=======

.. automodule:: molutil
   :members:
   :undoc-members:

driver_util
===========

.. automodule:: driver_util
   :members:
   :undoc-members:

aliases
=======

.. automodule:: aliases
   :members:
   :undoc-members:
   :exclude-members: sherrill_gold_standard, allen_focal_point

interactive
===========

.. automodule:: interactive
   :members:
   :undoc-members:

pubchem
=======

.. automodule:: pubchem
   :members:
   :undoc-members:

inputparser
===========

.. automodule:: inputparser
   :members:
   :undoc-members:

driver_nbody
============

.. automodule:: driver_nbody
   :members:
   :undoc-members:
   :exclude-members: _nbody_gufunc

driver_cbs
==========

.. automodule:: driver_cbs
   :members:
   :undoc-members:
   :exclude-members: cbs, complete_basis_set, xtpl_highest_1,
       scf_xtpl_helgaker_3, scf_xtpl_helgaker_2, corl_xtpl_helgaker_2, n_body

driver
======

.. automodule:: driver
   :members:
   :undoc-members:
   :exclude-members: energy, optimize, opt, frequency, frequencies, freq, property, prop, molden, gdma, fchk, gradient, hessian

wrapper_autofrag
================

.. automodule:: wrapper_autofrag
   :members:
   :undoc-members:

qmmm
====

.. automodule:: qmmm
   :members:
   :undoc-members:

qcdb
====

.. automodule:: qcdb
   :members:
   :undoc-members:
.. automodule:: qcdb.basislistother
   :members:
   :undoc-members:
.. automodule:: qcdb.physconst
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintspointgrp
   :members:
   :undoc-members:
.. automodule:: qcdb.molecule
   :members:
   :undoc-members:
.. automodule:: qcdb.cfour
   :members:
   :undoc-members:
.. automodule:: qcdb.dbwrap
   :members:
   :undoc-members:
.. automodule:: qcdb.dbproc
   :members:
   :undoc-members:
.. automodule:: qcdb.orca
   :members:
   :undoc-members:
.. automodule:: qcdb.oldpymodules
   :members:
   :undoc-members:
.. automodule:: qcdb.qcformat
   :members:
   :undoc-members:
.. automodule:: qcdb.exceptions
   :members:
   :undoc-members:
.. automodule:: qcdb.qchem
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintsbasisset
   :members:
   :undoc-members:
.. automodule:: qcdb.pdict
   :members:
   :undoc-members:
.. automodule:: qcdb.modelchems
   :members:
   :undoc-members:
.. automodule:: qcdb.interface_dftd3
   :members:
   :undoc-members:
.. automodule:: qcdb.orient
   :members:
   :undoc-members:
.. automodule:: qcdb.options
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintsmolecule
   :members:
   :undoc-members:
.. automodule:: qcdb.psiutil
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintsgshell
   :members:
   :undoc-members:
.. automodule:: qcdb.subsetgenerator
   :members:
   :undoc-members:
.. automodule:: qcdb.psivardefs
   :members:
   :undoc-members:
.. automodule:: qcdb.molpro2
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintsbasissetparser
   :members:
   :undoc-members:
.. automodule:: qcdb.jajo
   :members:
   :undoc-members:
.. automodule:: qcdb.p4regex
   :members:
   :undoc-members:
.. automodule:: qcdb.psi4
   :members:
   :undoc-members:
.. automodule:: qcdb.periodictable
   :members:
   :undoc-members:
.. automodule:: qcdb.vecutil
   :members:
   :undoc-members:
.. automodule:: qcdb.molpro_basissets
   :members:
   :undoc-members:
.. automodule:: qcdb.cov_radii
   :members:
   :undoc-members:
.. automodule:: qcdb.molpro
   :members:
   :undoc-members:
.. automodule:: qcdb.mpl
   :members:
   :undoc-members:
.. automodule:: qcdb.libmintscoordentry
   :members:
   :undoc-members:
.. automodule:: qcdb.psivarrosetta
   :members:
   :undoc-members:
.. automodule:: qcdb.parker
   :members:
   :undoc-members:
.. automodule:: qcdb.basislist
   :members:
   :undoc-members:
.. automodule:: qcdb.dashparam
   :members:
   :undoc-members:
.. automodule:: qcdb.__init__
   :members:
   :undoc-members:
.. automodule:: qcdb.basislistdunning
   :members:
   :undoc-members:
.. automodule:: qcdb.textables
   :members:
   :undoc-members:


p4util
======

.. automodule:: p4util
   :members:
   :undoc-members:
.. automodule:: p4util.basislistother
   :members:
   :undoc-members:
.. automodule:: p4util.text
   :members:
   :undoc-members:
.. automodule:: p4util.exceptions
   :members:
   :undoc-members:
.. automodule:: p4util.optproc
   :members:
   :undoc-members:
.. automodule:: p4util.inpsight
   :members:
   :undoc-members:
.. automodule:: p4util.p4regex
   :members:
   :undoc-members:
.. automodule:: p4util.util
   :members:
   :undoc-members:
.. automodule:: p4util.numpy_helper
   :members:
   :undoc-members:
.. automodule:: p4util.procutil
   :members:
   :undoc-members:
.. automodule:: p4util.basislist
   :members:
   :undoc-members:
.. automodule:: p4util.__init__
   :members:
   :undoc-members:
.. automodule:: p4util.basislistdunning
   :members:
   :undoc-members:


p4const
=======

.. automodule:: p4const
   :members:
   :undoc-members:
.. automodule:: p4const.physconst
   :members:
   :undoc-members:
.. automodule:: p4const.psifiles
   :members:
   :undoc-members:
.. automodule:: p4const.__init__
   :members:
   :undoc-members:


procedures
==========

.. automodule:: procedures
   :members:
   :undoc-members:
.. automodule:: procedures.wrappers_cfour
   :members:
   :undoc-members:
.. automodule:: procedures.proc_table
   :members:
   :undoc-members:
.. automodule:: procedures.functional
   :members:
   :undoc-members:
.. automodule:: procedures.interface_cfour
   :members:
   :undoc-members:
.. automodule:: procedures.proc
   :members:
   :undoc-members:
.. automodule:: procedures.proc_util
   :members:
   :undoc-members:
.. automodule:: procedures.roa
   :members:
   :undoc-members:
.. automodule:: procedures.__init__
   :members:
   :undoc-members: