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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
44 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [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). |
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*/ |
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50 |
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#ifndef PARALLEL_COMMUNICATOR_HPP |
120 |
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if (nProc % i == 0) nColumns = i; |
121 |
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} |
122 |
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|
122 |
– |
int nRows = nProc / nColumns; |
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rowIndex_ = myRank / nColumns; |
124 |
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columnIndex_ = myRank % nColumns; |
125 |
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