We've promised to explain how to get started with LAMMPS and today's tutorial on creating data files is being uploaded this evening. Good night and good luck!
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 · ...
As Natural Sciences students, we’re no strangers to laboratory work. Practical experiments are something we’ve all so far encountered, to a larger or smaller extent. On the other hand, despite it being something very desirable by many employers, we’ve realised that modelling what happens on a molecular level in theory is not a strong skillset of ours at all. Therefore, we believe that both gaining insight into molecular dynamics and modelling, as well as attempting to convey that knowledge to others will be a valuable experience as much as it will surely prove to be an exciting challenge. We’ll be documenting the progress of this journey of ours on this blog, so make sure to refresh the page for any updates. Now, without further ado: What exactly is molecular dynamics? Computer simulations can be used to assess the behaviour of a constantly changing , in other words a dynamic , system. Thanks to our current understanding of classical mechanic...
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