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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 PARALLEL_FORCEDECOMPOSITION_HPP |
172 |
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vector<vector<int> > excludesForAtom; |
173 |
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vector<vector<int> > groupList_; |
174 |
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vector<RealType> massFactors; |
175 |
+ |
vector<AtomType*> atypesLocal; |
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|
177 |
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vector<Vector3i> cellOffsets_; |
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Vector3i nCells_; |