n2p2 - The neural network potential package

This repository provides ready-to-use software for high-dimensional neural network potentials in materials science.

Documentation

Online version

This package uses automatic documentation generation via doxygen. An online version of the documentation which is automatically updated with the main repository can be found here.

Build your own documentation

It is also possible to build your own documentation for offline reading. This requires doxygen and graphviz to be installed on your system (tested with doxygen version 1.8.14 and graphviz version 2.36.0). If the requirements are met change to the src directory and try to build the documentation:

cd src
make doc

If the build process succeeds you can browse through the documentation starting from the main page in:

doc/html/index.html

Note: If graphviz is not available on your system you can still build the documentation if you set the option HAVE_DOT in the file src/doc/Doxyfile to NO. However, then there will be no graphs generated by doxygen.

Authors

• Andreas Singraber (University of Vienna)

License

This software is licensed under the GNU General Public License version 3 or any later version (GPL-3.0-or-later).