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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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< |
* [4] Vardeman & Gezelter, in progress (2009). |
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> |
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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> |
* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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#ifndef NONBONDED_SWITCHINGFUNCTION_HPP |
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SwitchingFunction(); |
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void setSwitchType(SwitchingFunctionType sft); |
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void setSwitch(RealType rinner, RealType router); |
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< |
bool getSwitch(RealType r2, RealType sw, RealType dswdr, RealType r); |
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> |
bool getSwitch(const RealType &r2, RealType &sw, RealType &dswdr, RealType &r); |
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private: |
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RealType rin_; |