Book

Extending and Modifying LAMMPS Writing Your Own Source Code

LAMMPS is a widely used tool for running simulations in molecular dynamics. While the built-in features of LAMMPS can be mastered using available resources, often you would find the need to customize it to meet your specific simulation requirements. This book teaches you to write custom code to add new features to the LAMMPS source code.

Offered byPackt Logo

Difficulty Level
Intermediate
Completion Time
13h8m approx.
Language
English
Certification
Not available

About Course

Book Content

chapters 13h8m total length

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

On this page

Ready to Train Your Team?

Need training for your whole team? Get bulk pricing, LMS integration, and dedicated support.

Trusted by Leading Organizations Worldwide

Join thousands of companies that trust Calibr to power their learning and development initiatives.

Chalet Hotels logo
Pernod Ricard logo
ProMobi logo
Metrique logo
K Raheja Corp logo
Spyne.AI logo
VuNet Systems logo
Procurement Partners logo
vEngage.AI logo
1218 Global logo
TRADEJINI logo
Oben Electric logo
IIT STartups logo
EdTech Digit logo
MindSkillz logo
NewportMed logo

Request Access For Your Organization

Start training your team in minutes!

No credit card required

Related Resources