| 43 |  | * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | 
| 44 |  | * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | 
| 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 | 
| 124 |  | rowIndex_ = myRank / nColumns; | 
| 125 |  | columnIndex_ = myRank % nColumns; | 
| 126 |  |  | 
| 126 | – | cerr << "rowIndex = " << rowIndex_ << "\t colIndex = " << columnIndex_ << "\n"; | 
| 127 |  | switch(D) { | 
| 128 |  | case Row : | 
| 129 |  | myComm = MPI::COMM_WORLD.Split(rowIndex_, 0); |