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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 SELECTION_SELECTIONEVALUATOR_HPP |
123 |
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void instructionDispatchLoop(OpenMDBitSet& bs); |
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void withinInstruction(const Token& instruction, OpenMDBitSet& bs); |
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+ |
OpenMDBitSet allInstruction(); |
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OpenMDBitSet comparatorInstruction(const Token& instruction); |
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void compareProperty(StuntDouble* sd, OpenMDBitSet& bs, int property, int comparator, float comparisonValue); |
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std::vector<int> linenumbers; |
185 |
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std::vector<int> lineIndices; |
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std::vector<std::vector<Token> > aatoken; |
187 |
< |
int pc; // program counter |
187 |
> |
unsigned int pc; // program counter |
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189 |
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bool error; |
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std::string errorMessage; |