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3. Modifying & extending LAMMPS

LAMMPS is designed in a modular fashion and to be easy to modify or extend with new functionality. In fact, about 95% of its source code are optional. The following pages give basic instructions on what is required when adding new styles of different kinds to LAMMPS.

If you add a new feature to LAMMPS and think it will be of general interest to other users, we encourage you to submit it for inclusion in LAMMPS as a pull request on our GitHub site, after reading about how to prepare your code for submission and the style requirements and recommendations.

• 3.1. Overview
• 3.2. Submitting new features for inclusion in LAMMPS
• 3.3. LAMMPS programming style and requirements for contributions

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