QMCEquilibrationArray.h

Go to the documentation of this file.

#ifndef QMCEquilibrationArray_H
#define QMCEquilibrationArray_H

#define EQ 15

#include "QMCExtendedProperties.h"
#include "IeeeMath.h"

using namespace std;

class QMCEquilibrationArray
{
 private:

  QMCExtendedProperties Eq_Array[EQ];

  QMCExtendedProperties ZeroProperties;

  int decorr_objects;

  int getDecorrObjectIndex();

  long power(int a,int b);

  bool calc_density;

  int nBasisFunc;

  bool calc_forces;
  
  Array2D<double> ten_thousand_samples;

  int over_ten_thousand;

 public:

  QMCEquilibrationArray();

  void zeroOut(); 

  void setCalcDensity(bool calcDensity, int nbasisfunctions);

  void setCalcForces(bool calcForces, int dim1, int dim2);
  
  void newSample
  (QMCProperties * timeStepProperties, double totalWeight, int nWalkers);

  QMCProperties * chooseDecorrObject();

  Stopwatch * getPropagationStopwatch();

  Stopwatch * getEquilibrationStopwatch();

  void startTimers();

  void stopTimers();

  void toXML(ostream& strm);

  bool readXML(istream& strm);

};

#endif

---