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Article

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

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School of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UK
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Centre for Computational Engineering Sciences, Cranfield University, Bedford MK43 0AL, UK
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Industrial Engineering Department, Petra Christian University, Surabaya 60236, Indonesia
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Department of Mechanical and Mechatronic Engineering, Universidad Nacional de Colombia, Bogotá 111321, Colombia
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School of Mathematics, University of Birmingham, Edgbaston, Birmingham B15 2TT, UK
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Department of Mechanical, Materials and Manufacturing Engineering, University of Nottingham Malaysia, Jalan Broga, Semenyih 43500, Malaysia
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Department of Materials and Engineering, Sayens-University of Burgundy, 21000 Dijon, France
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Authors to whom correspondence should be addressed.
Academic Editors: Mark P. Heitz and Andrew S. Paluch
ChemEngineering 2021, 5(2), 30; https://doi.org/10.3390/chemengineering5020030
Received: 11 January 2021 / Revised: 2 April 2021 / Accepted: 26 May 2021 / Published: 13 June 2021
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. View Full-Text
Keywords: LAMMPS; particle method; discrete multiphysics LAMMPS; particle method; discrete multiphysics
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MDPI and ACS Style

Albano, A.; le Guillou, E.; Danzé, A.; Moulitsas, I.; Sahputra, I.H.; Rahmat, A.; Duque-Daza, C.A.; Shang, X.; Ching Ng, K.; Ariane, M.; Alexiadis, A. How to Modify LAMMPS: From the Prospective of a Particle Method Researcher. ChemEngineering 2021, 5, 30. https://doi.org/10.3390/chemengineering5020030

AMA Style

Albano A, le Guillou E, Danzé A, Moulitsas I, Sahputra IH, Rahmat A, Duque-Daza CA, Shang X, Ching Ng K, Ariane M, Alexiadis A. How to Modify LAMMPS: From the Prospective of a Particle Method Researcher. ChemEngineering. 2021; 5(2):30. https://doi.org/10.3390/chemengineering5020030

Chicago/Turabian Style

Albano, Andrea, Eve le Guillou, Antoine Danzé, Irene Moulitsas, Iwan H. Sahputra, Amin Rahmat, Carlos A. Duque-Daza, Xiaocheng Shang, Khai Ching Ng, Mostapha Ariane, and Alessio Alexiadis. 2021. "How to Modify LAMMPS: From the Prospective of a Particle Method Researcher" ChemEngineering 5, no. 2: 30. https://doi.org/10.3390/chemengineering5020030

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