| 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 | 
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      rowIndex_ = myRank / nColumns;       | 
| 125 | 
  | 
      columnIndex_ = myRank % nColumns; | 
| 126 | 
  | 
 | 
| 126 | 
– | 
      cerr << "rowIndex = " << rowIndex_ << "\t colIndex = " << columnIndex_ << "\n"; | 
| 127 | 
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      switch(D) { | 
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  | 
      case Row : | 
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  | 
        myComm = MPI::COMM_WORLD.Split(rowIndex_, 0); |