February 2021
Intermediate to advanced
394 pages
8h 22m
English
Overview
Extending and Modifying LAMMPS is your essential guide to customizing the widely-used molecular dynamics simulation tool, LAMMPS. Through this book, you'll learn to understand its source code, implement your own features, and adapt it to meet your specific research needs, all in a structured and practical manner.
What this Book will help me do
- Understand the architecture and structure of the LAMMPS source code.
- Develop proficiency in adding custom features to the LAMMPS tool.
- Relate source code elements directly to simulated physical quantities.
- Gain insights into implementing and modifying pair styles, computes, and fixes.
- Master practical debugging and troubleshooting strategies when modifying LAMMPS.
Author(s)
Dr. Shafat Mubin and Li are seasoned professionals and passionate contributors in the field of computational molecular dynamics. With years of practical research experience using LAMMPS, they bring deep insights into how the tool can be extended and tailored for diverse applications. Their methodical approach simplifies complex topics, making them accessible to practitioners of all levels.
Who is it for?
This book is perfect for researchers, advanced students, and professionals in molecular dynamics who are interested in extending their simulation capabilities by modifying the LAMMPS source code. If you are comfortable operating LAMMPS in its basic form and eager to delve into its internals to implement custom solutions, this book is tailored for you.
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