\(\renewcommand{\AA}{\text{Å}}\)

4.8. Writing new styles

The Modifying & extending LAMMPS section of the manual gives an overview of how LAMMPS can be extended by writing new classes that derive from existing parent classes in LAMMPS. Here, some specific coding details are provided for writing code for LAMMPS.

• 4.8.1. Writing new pair styles
• 4.8.2. Package and build system considerations
• 4.8.3. Case 1: a pairwise additive model
• 4.8.4. Case 2: a many-body potential
• 4.8.5. Case 3: a potential requiring communication
• 4.8.6. Case 4: potentials without a compute() function
• 4.8.7. Writing new bond, angle, dihedral, and improper styles
• 4.8.8. Case 1: Implementing a bond style
• 4.8.9. Case 2: Implementing an angle style
• 4.8.10. Case 3: Implementing a dihedral style
• 4.8.11. Case 4: Implementing an improper style
• 4.8.12. Writing a new fix style
• 4.8.13. Writing new compute styles
• 4.8.14. Case 1: A global scalar compute
• 4.8.15. Case 2: A per-atom compute
• 4.8.16. Notes on flags and output types
• 4.8.17. Writing a new command style
• 4.8.18. Case 1: Implementing the geturl command