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PeriodicQuenchMinimizer.h

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#pragma once
#include "Minimizer.h"
#include "ParameterFilter.h"
#include "Rand.h"
#include "MatrixOperations.h"
#include "ImprovedLevenbergMarquardtMinimizer.h"
#include "ConjugateGradientMinimizer.h"

class CPeriodicQuenchMinimizer : public Minimizer
{
public:
        CPeriodicQuenchMinimizer(int RNGSeed, CParameterFilter *pFilter, bool LMflag, int nQuench, int nSteps, double tol=1.0e-02, double T=10, double deltaX=1.0,double c=10);
        virtual ~CPeriodicQuenchMinimizer(void);
        double Minimize(double *parameters, Minimizable *minimizable);
        virtual bool AcceptMove(double Eold, double Enew);
        virtual void GenerateMove();
        void WriteQuenchedParameters(int iter, double E);
protected:
        // used to do vector copies and such
        CMatrixOperations *m_pMO;
        // RNG
        Rand *m_pRNG;
        // filter for parameters, available to derived classes for move generation
        CParameterFilter *m_pFilter;
        // minimizer to do the quenching
        Minimizer *m_pQuencher;
        // current state
        double *m_pdCurrentParameters;
        // trial state
        double *m_pdTrialParameters;
        // number of total quenches to perform
        int m_iNQuenches;
        // number of steps to perform before quenching
        int m_iNMCSteps;
        // stepsize control
        double m_dC;
        // minimum std. dev. for stepsize
        double m_dDeltaX;
        // needed for detailed balance correction
        double m_dSqrLogParDiff;
        // temperature for the thermal part of the algorithm
        double m_dTemperature;
        // self-explanatory
        double m_dAcceptanceRatio;
        // seed
        int m_iRNGSeed;
        // current energy
        double m_dECurrent;
};

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