.. openLOWDIN documentation master file, created by
   sphinx-quickstart on Tue Apr 15 14:43:47 2025.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

Welcome to openLOWDIN's documentation!
======================================

openLOWDIN is a computational program that implements the Any Particle Molecular Orbital (APMO) method to study systems containing any type and number of quantum species, such as electrons, positrons, quantum nuclei, muons, or drude oscillators.

This manual is still in early construction stage! Thanks for your patience. 


.. toctree::
   :maxdepth: 2
   :caption: Contents:

        About <openLOWDIN/about.rst>
        Developers and contributors <openLOWDIN/developers_and_contributors.rst>
        Installation <openLOWDIN/installation.rst>
        Getting started <openLOWDIN/getting_started.rst>

.. toctree::
   :maxdepth: 2
   :caption: Code:

        List of methods/options <code/code.rst>
        Input <code/input.rst>
        Lib <code/lib.rst>
        CONTROL <code/control.rst>
        Outputs <code/outputs.rst>
        Integrals <code/integrals.rst>
        HF <code/HF.rst>
        SCF <code/scf.rst>
        Potentials <code/potentials.rst>
        Properties <code/properties.rst>
        DFT <code/DFT.rst>
        MBPT <code/MBPT.rst>
        PT <code/PT.rst>
        CI <code/CI.rst>
        NOCI <code/NOCI.rst>
..      COSMO <code/COSMO.rst>
..      MM <code/MM.rst>
..      optimization <code/opt.rst>

.. toctree::
   :maxdepth: 2
   :caption: Tutorials:

        List of tutorials <tutorials/tutorials.rst>
        Positronic systems <tutorials/positrons.rst>
        Positron covalent bond <tutorials/positronCovalentBond.rst>
        Quantum nuclei <tutorials/nuclei.rst>
        MP2 example <tutorials/mp2example.rst>
        PT2 example <tutorials/pt2example.rst>
        TOEP2 example <tutorials/toep2example.rst>
        PT3 example <tutorials/pt3example.rst>
        Negative muons <tutorials/muons.rst>
        Quantum Drude Oscillators <tutorials/qdo.rst>
        External potentials <tutorials/extPotentials.rst>
        Molden files <tutorials/moldenFilesExample.rst>
        Cubes files <tutorials/cubesFilesExample.rst>

.. toctree::
   :maxdepth: 2
   :caption: References:

        Bibliography <bibliography/biblio.rst>

.. Indices and tables
.. ==================
.. 
.. * :ref:`genindex`
.. * :ref:`modindex`
.. * :ref:`search`

.. meta::
   :google-site-verification: TJ7urfgOYSW-1eNz__lIDDOB_E2M4KFjiigia2COUQ4
   :description: openLOWDIN is a computational program that implements the Any Particle Molecular Orbital (APMO) method to study systems containing any type and number of quantum species, such as electrons, positrons, quantum nuclei, muons, or drude oscillators.
   :keywords: manual, lowdin, openlowdin, quantum chemistry, positrons, quantum nuclei, muons.