Modules
=======

In this section we document the various classes defined within the ``koopmans`` python package.

The workflow module
^^^^^^^^^^^^^^^^^^^

The central objects in ``koopmans`` are ``Workflow`` objects. We use these to define and run workflows, as described :ref:`here <running:Running via python>`. The workflow that runs most calculations is the ``SinglepointWorkflow``, defined as follows.


.. autoclass:: koopmans.workflows.SinglepointWorkflow