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#include "GenericData.hpp" |
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//#include "Minimizer.hpp" |
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//#include "OOPSEMinimizer.hpp" |
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< |
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> |
double roundMe( double x ); |
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class OOPSEMinimizer; |
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class SimInfo{ |
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int useReactionField; |
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int useGB; |
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int useEAM; |
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+ |
int useMolecularCutoffs; |
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bool useInitXSstate; |
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double orthoTolerance; |
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void addProperty(GenericData* prop); |
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GenericData* getProperty(const string& propName); |
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< |
vector<GenericData*> getProperties(); |
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> |
//vector<GenericData*>& getProperties() {return properties;} |
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int getSeed(void) { return seed; } |
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void setSeed(int theSeed) { seed = theSeed;} |