Hybrid MPI/OpenMP parallelization of the effective fragment potential method in the libefp software library

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Ilya A Kaliman1, Lyudmila V Slipchenko

  • 1Department of Chemistry, Purdue University, West Lafayette, Indiana, 47907.

Journal of Computational Chemistry
|November 14, 2014
PubMed

Keywords:
Effective Fragment PotentialMessage Passing InterfaceOpenMPlibefpparallel

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