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Building a LAMMPS input file: a tutorial
For a LAMMPS beginner, creating their first input file could be rather overwhelming. LAMMPS provides a vast array of commands with diverse applications, and it might be difficult to use them without any guidance. Nevertheless, the LAMMPS input file has some general structural requirements that are virtually unchanging for the majority of uses. To build a LAMMPS input file, the first step should be creating a plain text file. It is usually presented in the form in.filename. This document only includes some very common examples of LAMMPS commands. For a full command list, see manual . Common structure: 1. Main information about the system · Units. Available unit styles are real , metal , si , csg , electron , and micro. For more information about the units command, see manual . Correct format: units [unit style] units real · ...
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