.. _examples:

Examples
********

The following examples are included in the `github repo <http://github.com/NREL/streamm-tools>`_
in the examples directory as `jupyter notebooks <http://jupyter.org/>`_.

The lower-case examples go through the basic functionality of each module.

.. toctree::
    :maxdepth: 2

    units_example.rst
    lattice_example.rst
    structures_example.rst
    buildingblocks_example.rst
    forcefields_example.rst
    resource_example.rst
    calculations_example.rst

The upper-case examples go through more advanced workflows.

    Create alkyl chains and analyze using quantum chemical methods and run a MD simulation

    .. toctree::
        :maxdepth: 2

        Project_alkyls.rst

    Run a simplified procedure to calculate the inter-molecular electronic coupling energies between penta-3-hexylthiophene

    .. toctree::
        :maxdepth: 2

        P3HT_ET.rst