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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 APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP |
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#define APPLICATIONS_STATICPROPS_P2ORDERPARAMETER_HPP |
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RealType p2; |
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Vector3d director; |
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RealType angle; |
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– |
RealType p4; |
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}; |
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void writeP2(); |
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SelectionManager seleMan2_; |
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SelectionEvaluator evaluator1_; |
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SelectionEvaluator evaluator2_; |
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– |
vector<pair<StuntDouble*, StuntDouble*> > sdPairs_; /**< each pair is used |
79 |
– |
to define a vector, |
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– |
v = first - second |
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*/ |
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vector<OrderParam> orderParams_; |
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|
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}; |