Welcome
=======

.. toctree::
    :maxdepth: 2
    :hidden:

    About <about>
    Install <install>
    User Guide <user-guide.md>
    Examples <examples>
    Contact <contact>

.. warning::

    This site supports the development release of a completely rewritten
    ``profess``. The serial version is ready for public testing and
    use, but continued tweaks should be expected. Feedback is appreciated!

    For now, releases will be tagged ``v4-dev-x``, with ``x`` as the release
    number. Eventually, after incorporating feedback and finalizing the API,
    we will make a ``v4.0.0`` release.

    For users preferring ``profess 3``, it is available 
    `here <https://github.com/EACcodes/PROFESS>`_.


``profess`` is a high-performance engine for orbital-free density functional
theory (OFDFT). While the latest version was completely rewritten, it draws on
the innovations of earlier ``profess`` releases.

The new ``profess`` code is predominantly modern C++, compiled into a
library with a clean API. In addition, Python bindings are provided for all
essential commands. This structure facilitates rapid scripting of common tasks,
as well as frictionless partnerships with complementary tools in the materials
modelling software ecosystem.

Seed funding for the latest version of ``profess`` was provided by The
Molecular Sciences Software Institute (MolSSI) in the form of a software
fellowship carried out during Fall 2019.