3. Modifying & extending LAMMPS

LAMMPS is designed in a modular fashion so as to be easy to modify and extend with new functionality. In fact, about 95% of its source code is add-on files. These doc pages give basic instructions on how to do this.

If you add a new feature to LAMMPS and think it will be of interest to general users, we encourage you to submit it for inclusion in LAMMPS as a pull request on our GitHub site, after reading this page.