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LAMMPS: A Case Study For Applying Modern Software Engineering to an Established Research Software Package

Authors: Kohlmeyer, Axel; Berger, Richard;

LAMMPS: A Case Study For Applying Modern Software Engineering to an Established Research Software Package

Abstract

We review various changes made in recent years to the software development process of the LAMMPS simulation software package and the software itself. We discuss how those changes have impacted the effort and workflow required to develop and maintain a software package that has been in existence for more than 30 years and where a significant part of the code base is contributed by external developers. We also look into how those changes have affected the code quality and ease of modifying and extending the software while at the same time its audience has changed from a cohort with a generally strong software development background to a group containing many researchers with limited software development skills. We explore how this contributes to LAMMPS' significant growth in popularity in that time. We close with an outlook on future steps.

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Keywords

Software Engineering (cs.SE), FOS: Computer and information sciences, Computer Science - Software Engineering, High-Performance Computing, Software Engineering, FOS: Physical sciences, Molecular Dynamics Simulation, Computational Physics (physics.comp-ph), Physics - Computational Physics, LAMMPS

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    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green