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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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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
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* Created by J. Daniel Gezelter on 09/26/06. |
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std::vector<RealType> q2; |
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std::vector<ComplexType> w; |
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std::vector<ComplexType> w_hat; |
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std::map<std::pair<int,int>,ComplexType> QBar; |
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std::vector<RealType> Q2; |
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std::vector<RealType> Q; |
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std::vector<ComplexType> W; |