Chapter 2: LAMMPS Syntax and Source Code Hierarchy

In this chapter, we will outline the LAMMPS input script structure and connect script commands with the source code operating in the background. The source code repository is introduced, followed by the class hierarchy that is responsible for setting up the simulation framework and parsing commands, and it culminates in a brief overview of several top-level classes.

We will cover the following topics:

  • Introducing the structure of a typical LAMMPS input script
  • Introducing the repository of source code files
  • Reviewing the source code hierarchy
  • Functions of selected top-level classes

The end goal of this chapter is to explain how the source code lays out the simulation foundations, which will ...

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