**********
XTP Manual
**********

**Disclaimer:**
This manual is not complete. The best way to start using the software is
to look at the provided tutorials. The reference section is generated
automatically from the source code of the master version, so please make sure that your
software and manual versions match.


.. toctree::
   :numbered:

   xtp_introduction
   elstruc_theory
   transfer_theory
   transport_theory
   pyxtp
   workflows_and_calculators
   reference
   bibliography


Citations
---------

Development of this software depends on academic research grants. If
you are using the package, please cite the following papers:

- [scherer_understanding_2018]_ Force-matching with three-body interactions in VOTCA
- [mashayakrelative]_ Relative entropy and optimization-driven coarse-graining methods in VOTCA
- [ruhle2011hybrid]_ Hybrid approaches to coarse-graining using the VOTCA package: liquid hexane
- [Ruehle:2009.a]_ Versatile Object-oriented Toolkit for Coarse-graining Applications


Development
-----------

The core development is currently taking place at the Eindhoven University of Technology, Netherlands, and Los Alamos National Laboratory.


Copyright
---------

VOTCA is free software. The entire package is available under the Apache
License. For details, check the LICENSE file in the source code. The
VOTCA source code is available on our homepage, .



