| 36 |
|
* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
| 37 |
|
* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
| 38 |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
| 39 |
< |
* [4] Vardeman & Gezelter, in progress (2009). |
| 39 |
> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
| 41 |
|
*/ |
| 42 |
|
|
| 43 |
|
#include <algorithm> |
| 101 |
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StuntDouble* sd3; |
| 102 |
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|
| 103 |
|
for (sd1 = seleMan1_.beginSelected(i), sd3 = seleMan3_.beginSelected(j); |
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< |
sd1 != NULL, sd3 != NULL; |
| 104 |
> |
sd1 != NULL || sd3 != NULL; |
| 105 |
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sd1 = seleMan1_.nextSelected(i), sd3 = seleMan3_.nextSelected(j)) { |
| 106 |
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|
| 107 |
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Vector3d r3 =sd3->getPos(); |