Table of Contents
Preface
Section 1: Getting Started with LAMMPS
Chapter 1: MD Theory and Simulation Practices
Technical requirements
Introducing MD theory
Understanding the dynamics of point particles
Performing iterative updates using the Velocity Verlet algorithm
Understanding rotational motion
Examining temperature and velocity distribution of particles
Implementing MD simulation practices
Pair-potential cutoff
Periodic boundary conditions
Neighbor lists
Processor communication
Summary
Questions
Chapter 2: LAMMPS Syntax and Source Code Hierarchy
Technical requirements
Introducing the LAMMPS input script structure
Introducing the source code repository
Reviewing the source code hierarchy
Summary
Further reading
Questions
Section 2: Understanding ...
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