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DL_MESO_DPD: development and use of mesoscale modelling software

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ABSTRACT DL_MESO is a highly-scalable general purpose software package for mesoscale modelling. Created and developed at Daresbury Laboratory for the UK Collaborative Computational Project CCP5, it was intended to be… Click to show full abstract

ABSTRACT DL_MESO is a highly-scalable general purpose software package for mesoscale modelling. Created and developed at Daresbury Laboratory for the UK Collaborative Computational Project CCP5, it was intended to be a companion package to the flagship molecular dynamics code DL_POLY. One of DL_MESO component codes, DL_MESO_DPD, is based on dissipative particle dynamics, a mesoscale modelling technique with many similarities to classical molecular dynamics. While this code and DL_POLY were created with different applications in mind, they share a significant amount of functionality and development history. This article gives an overview on how DL_MESO_DPD has been developed, including its shared history with DL_POLY and information on its current performance, and a selection of applications for which the code has been used.

Keywords: meso dpd; mesoscale modelling; development; software

Journal Title: Molecular Simulation
Year Published: 2018

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