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How to Modify LAMMPS: From the Prospective of a Particle Method Researcher

Authors :
Andrea Albano
Eve le Guillou
Antoine Danzé
Irene Moulitsas
Iwan H. Sahputra
Amin Rahmat
Carlos Alberto Duque-Daza
Xiaocheng Shang
Khai Ching Ng
Mostapha Ariane
Alessio Alexiadis
Source :
ChemEngineering, Vol 5, Iss 2, p 30 (2021)
Publication Year :
2021
Publisher :
MDPI AG, 2021.

Abstract

LAMMPS is a powerful simulator originally developed for molecular dynamics that, today, also accounts for other particle-based algorithms such as DEM, SPH, or Peridynamics. The versatility of this software is further enhanced by the fact that it is open-source and modifiable by users. This property suits particularly well Discrete Multiphysics and hybrid models that combine multiple particle methods in the same simulation. Modifying LAMMPS can be challenging for researchers with little coding experience. The available material explaining how to modify LAMMPS is either too basic or too advanced for the average researcher. In this work, we provide several examples, with increasing level of complexity, suitable for researchers and practitioners in physics and engineering, who are familiar with coding without been experts. For each feature, step by step instructions for implementing them in LAMMPS are shown to allow researchers to easily follow the procedure and compile a new version of the code. The aim is to fill a gap in the literature with particular reference to the scientific community that uses particle methods for (discrete) multiphysics.

Details

Language :
English
ISSN :
23057084
Volume :
5
Issue :
2
Database :
Directory of Open Access Journals
Journal :
ChemEngineering
Publication Type :
Academic Journal
Accession number :
edsdoj.9fee4b382b1c4eaaaf11a86e662dd18c
Document Type :
article
Full Text :
https://doi.org/10.3390/chemengineering5020030