February 2021
Intermediate to advanced
394 pages
8h 22m
English
Content preview from Extending and Modifying LAMMPS Writing Your Own Source Code
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Section 2: Understanding the Source Code Structure
The LAMMPS source code controls the flow of information and performs required calculations during a MD simulation run. Given the vast extent of the source code, how can we understand the functions of the various components?
In this section, you will learn how to understand the various components of the source code that run in the background when LAMMPS commands are executed. Emphasis is placed on the internal mechanisms that function during the execution of pair styles, computes, and fixes.
This section comprises the following chapters:
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