| 35 |
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* |
| 36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
< |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
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* [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
| 41 |
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* Created by Kelsey M. Stocker on 2/9/12. |
| 62 |
|
dimension[0] = 2.0*length; |
| 63 |
|
dimension[1] = 2.0*length; |
| 64 |
|
dimension[2] = 2.0*length; |
| 65 |
– |
cerr << "using dimension = " << dimension << "\n"; |
| 65 |
|
setGridDimension(dimension); |
| 67 |
– |
cerr << "done!\n"; |
| 66 |
|
Vector3d origin; |
| 67 |
|
origin[0] = 0; |
| 68 |
|
origin[1] = 0; |