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| 45 |  | * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | 
| 46 | < | * [4]  Vardeman & Gezelter, in progress (2009). | 
| 46 | > | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 47 | > | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 48 |  | */ | 
| 49 |  |  | 
| 50 |  | #ifndef PARALLEL_COMMUNICATOR_HPP | 
| 72 |  | static int Length() { return 1; }; | 
| 73 |  | }; | 
| 74 |  |  | 
| 75 | < | template<> inline MPI::Datatype MPITraits<int>::Type() { return MPI_INT; } | 
| 76 | < | template<> inline MPI::Datatype MPITraits<RealType>::Type() { return MPI_REALTYPE; } | 
| 75 | > | template<> inline MPI::Datatype MPITraits<int>::Type() { return MPI::INT; } | 
| 76 | > | template<> inline MPI::Datatype MPITraits<RealType>::Type() { return MPI::REALTYPE; } | 
| 77 |  |  | 
| 78 |  | template<class T, unsigned int Dim> | 
| 79 |  | class MPITraits< Vector<T, Dim> > { | 
| 120 |  | if (nProc % i == 0) nColumns = i; | 
| 121 |  | } | 
| 122 |  |  | 
| 122 | – | int nRows = nProc / nColumns; | 
| 123 |  | rowIndex_ = myRank / nColumns; | 
| 124 |  | columnIndex_ = myRank % nColumns; | 
| 125 |  |  |