How to Modify LAMMPS: From the Prospective of a Particle Method Researcher
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...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-06-01
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| Series: | ChemEngineering |
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| Online Access: | https://www.mdpi.com/2305-7084/5/2/30 |
| _version_ | 1797530345846865920 |
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| author | 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 |
| author_facet | 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 |
| author_sort | Andrea Albano |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T10:27:35Z |
| format | Article |
| id | doaj.art-9fee4b382b1c4eaaaf11a86e662dd18c |
| institution | Directory Open Access Journal |
| issn | 2305-7084 |
| language | English |
| last_indexed | 2024-03-10T10:27:35Z |
| publishDate | 2021-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | ChemEngineering |
| spelling | doaj.art-9fee4b382b1c4eaaaf11a86e662dd18c2023-11-21T23:56:05ZengMDPI AGChemEngineering2305-70842021-06-01523010.3390/chemengineering5020030How to Modify LAMMPS: From the Prospective of a Particle Method ResearcherAndrea Albano0Eve le Guillou1Antoine Danzé2Irene Moulitsas3Iwan H. Sahputra4Amin Rahmat5Carlos Alberto Duque-Daza6Xiaocheng Shang7Khai Ching Ng8Mostapha Ariane9Alessio Alexiadis10School of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UKCentre for Computational Engineering Sciences, Cranfield University, Bedford MK43 0AL, UKCentre for Computational Engineering Sciences, Cranfield University, Bedford MK43 0AL, UKCentre for Computational Engineering Sciences, Cranfield University, Bedford MK43 0AL, UKSchool of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UKSchool of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UKSchool of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UKSchool of Mathematics, University of Birmingham, Edgbaston, Birmingham B15 2TT, UKDepartment of Mechanical, Materials and Manufacturing Engineering, University of Nottingham Malaysia, Jalan Broga, Semenyih 43500, MalaysiaDepartment of Materials and Engineering, Sayens-University of Burgundy, 21000 Dijon, FranceSchool of Chemical Engineering, University of Birmingham, Birmingham B15 2TT, UKLAMMPS 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.https://www.mdpi.com/2305-7084/5/2/30LAMMPSparticle methoddiscrete multiphysics |
| spellingShingle | 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 How to Modify LAMMPS: From the Prospective of a Particle Method Researcher ChemEngineering LAMMPS particle method discrete multiphysics |
| title | How to Modify LAMMPS: From the Prospective of a Particle Method Researcher |
| title_full | How to Modify LAMMPS: From the Prospective of a Particle Method Researcher |
| title_fullStr | How to Modify LAMMPS: From the Prospective of a Particle Method Researcher |
| title_full_unstemmed | How to Modify LAMMPS: From the Prospective of a Particle Method Researcher |
| title_short | How to Modify LAMMPS: From the Prospective of a Particle Method Researcher |
| title_sort | how to modify lammps from the prospective of a particle method researcher |
| topic | LAMMPS particle method discrete multiphysics |
| url | https://www.mdpi.com/2305-7084/5/2/30 |
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