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* |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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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). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* Created by Kelsey M. Stocker on 2/9/12. |
62 |
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dimension[0] = 2.0*length; |
63 |
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dimension[1] = 2.0*length; |
64 |
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dimension[2] = 2.0*length; |
65 |
– |
cerr << "using dimension = " << dimension << "\n"; |
65 |
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setGridDimension(dimension); |
67 |
– |
cerr << "done!\n"; |
66 |
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Vector3d origin; |
67 |
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origin[0] = 0; |
68 |
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origin[1] = 0; |