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Persistent URL http://purl.org/net/epubs/work/39595226
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Record Id 39595226
Title DL_MESO_DPD: development and use of mesoscale modelling software
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.
Organisation STFC , SCI-COMP , SCI-COMP-CC
Keywords software development , DL_MESO , mesoscale modelling , DL_POLY , dissipative particle dynamics
Funding Information EPSRC
Related Research Object(s): 49828652
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Language English (EN)
Type Details URI(s) Local file(s) Year
Journal Article Mol Simul 47, no. 2-3 (2018): 228-247. doi:10.1080/08927022.2018.1524143 2018