A smooth-particle mesh Ewald method for DL_POLY molecular dynamics simulation package on the Fujitsu VPP700
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference9 articles.
1. DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package
2. Smith, W.; Forester, T. R. The DL_POLY user manual, version 2.11; Daresbury Laboratory: United Kingdom. http://www.dl.ac.uk/TCS/Software/DL_POLY, 1999.
3. Parallel macromolecular simulations and the replicated data strategy
4. A highly vectorised “link-cell” FORTRAN code for the DL_POLY molecular dynamics simulation package
5. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems
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