MaMiCo: Software design for parallel molecular-continuum flow simulations
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Abstract
The macro–micro-coupling tool (MaMiCo) was developed to ease the development of and modularize molecular-continuum simulations, retaining sequential and parallel performance. We demonstrate the functionality and performance of MaMiCo by coupling the spatially adaptive Lattice Boltzmann framework waLBerla with four molecular dynamics (MD) codes: the light-weight Lennard-Jones-based implementation SimpleMD, the node-level optimized software ls1 mardyn, and the community codes ESPResSo and LAMMP...
Title of program: MaMiCo
Catalogue Id: AEYW_v1_0
Nature of problem
Coupled molecular-continuum simulation for multi-resolution fluid dynamics: parts of the domain are resolved by molecular dynamics whereas large parts are covered by a CFD solver, e.g. a lattice Boltzmann automaton
Versions of this program held in the CPC repository in Mendeley Data
AEYW_v1_0; MaMiCo; 10.1016/j.cpc.2015.10.029
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
创建时间：
2019-11-11
