software . 2013


Smith, E; Trevelyan, D;
Open Access
  • Published: 28 May 2013
  • Country: United Kingdom
The coupler (CPL) consists of a series of function calls which are loosely based on the MPI framework in terms of both functionality and scope. Their aim is to facilitate the exchange of data between two parallel solvers -- Molecular Dynamics (MD) and continuum Computational Fluid Dynamics (CFD). For details of the methods, the reader is referred to e.g. the review paper by K. M. Mohamed, A. A. Mohamad (2010) "A review of the development of hybrid atomistic–continuum methods for dense fluids", Microfluidics and Nanofluidics March 2010, Volume 8, Issue 3, pp 283-302. The routines have been developed in Fortran 2008 with sufficient generality that they could be us...
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