| 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 |
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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 |
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*/ |
| 42 |
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| 43 |
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#ifndef NONBONDED_INTERACTIONMANAGER_HPP |
| 80 |
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void doSkipCorrection(InteractionData idat); |
| 81 |
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void doSelfCorrection(SelfData sdat); |
| 82 |
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void setCutoffRadius(RealType rCut); |
| 82 |
– |
void setSwitchingRadius(RealType rSwitch); |
| 83 |
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RealType getSuggestedCutoffRadius(int *atid1); |
| 84 |
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RealType getSuggestedCutoffRadius(AtomType *atype); |
| 85 |
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