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* |
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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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> |
* [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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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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#ifndef SELECTION_DISTANCEFINDER_HPP |
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#define SELECTION_DISTANCEFINDER_HPP |
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DistanceFinder(SimInfo* si); |
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|
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OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance); |
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OpenMDBitSet find(const OpenMDBitSet& bs, RealType distance, int frame); |
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|
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SimInfo* info_; |
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std::vector<StuntDouble*> stuntdoubles_; |