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.

• 3.1. Overview
• 3.2. Submitting new features for inclusion in LAMMPS

• 3.3. Atom styles
• 3.4. Pair styles
• 3.5. Bond, angle, dihedral, improper styles
• 3.6. Compute styles
• 3.7. Fix styles
• 3.8. Input script command style
• 3.9. Dump styles
• 3.10. Kspace styles
• 3.11. Minimization styles
• 3.12. Region styles
• 3.13. Body styles
• 3.14. Thermodynamic output options
• 3.15. Variable options