Extending and Modifying LAMMPS Writing Your Own Source Code

Table of Contents

1. MD Theory and Simulation Practices
2. LAMMPS Syntax and Source Code Repository
3. Source Code Structure and Stages of Execution
4. Accessing Information by Variables, Arrays, and Methods
5. Understanding Pair Styles
6. Understanding Computes
7. Understanding Fixes
8. Exploring Supporting Classes
9. Modifying Pair Potentials
10. Modifying Force Applications
11. Modifying Thermostats
12. Appendix A: Building LAMMPS with CMake
13. Appendix B: Debugging Programs
14. Appendix C: Getting Familiar with MPI
15. Appendix D: Compatibility with Version 29Oct20