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#include "integrators/NPT.hpp" |
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namespace oopse { |
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class NPTi : public NPT { |
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public: |
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< |
NPTi(SimInfo * theInfo, ForceFields * the_ff); |
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< |
~NPTi(); |
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> |
class NPTi : public NPT { |
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> |
public: |
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< |
virtual double getConservedQuantity(void); |
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< |
virtual void resetIntegrator(void); |
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< |
virtual string getAdditionalParameters(void); |
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> |
NPTi(SimInfo* info); |
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> |
~NPTi(); |
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< |
protected: |
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> |
private: |
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< |
virtual void evolveEtaA(void); |
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< |
virtual void evolveEtaB(void); |
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> |
virtual void evolveEtaA(); |
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> |
virtual void evolveEtaB(); |
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< |
virtual bool etaConverged(void); |
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> |
virtual bool etaConverged(); |
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< |
virtual void scaleSimBox(void); |
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> |
virtual void scaleSimBox(); |
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< |
virtual void getVelScaleA(double sc[3], double vel[3]); |
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< |
virtual void getVelScaleB(double sc[3], int index); |
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< |
virtual void getPosScale(double pos[3], double COM[3], int index, |
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< |
double sc[3]); |
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> |
virtual void getVelScaleA(Vector3d& sc, const Vector3d& vel); |
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> |
virtual void getVelScaleB(Vector3d& sc, int index ); |
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> |
virtual void getPosScale(const Vector3d& pos, const Vector3d& COM, |
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> |
int index, Vector3d& sc); |
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< |
virtual void calcVelScale(void); |
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> |
virtual void calcVelScale(); |
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> |
virtual double calcConservedQuantity(); |
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< |
double eta, oldEta, prevEta; |
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< |
double vScale; |
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< |
}; |
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> |
double eta; |
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> |
double oldEta; |
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> |
double prevEta; |
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> |
double vScale; |
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> |
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> |
}; |
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+ |
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} //end namespace oopse |
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#endif //INTEGRATORS_NPTI_HPP |
