| 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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/** |
| 82 |
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| 83 |
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protected: |
| 84 |
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bool initialized_; |
| 85 |
+ |
bool doParticlePot_; |
| 86 |
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|
| 87 |
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virtual void setupCutoffs(); |
| 86 |
– |
virtual void setupSwitching(); |
| 88 |
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virtual void preCalculation(); |
| 89 |
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virtual void shortRangeInteractions(); |
| 90 |
|
virtual void longRangeInteractions(); |