ThermalModelEVCrossterms.h

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/*
 * Thermal-FIST package
 * 
 * Copyright (c) 2022 Volodymyr Vovchenko
 *
 * GNU General Public License (GPLv3 or later)
 */
#ifndef THERMALMODELEVCROSSTERMS_H
#define THERMALMODELEVCROSSTERMS_H
 
#include "HRGVDW/ThermalModelVDW.h"
 
namespace thermalfist {

  class ThermalModelEVCrossterms : public ThermalModelVDW
  {
  public:
    ThermalModelEVCrossterms(ThermalParticleSystem *TPS, const ThermalModelParameters& params = ThermalModelParameters()) :
      ThermalModelVDW(TPS, params) {
      m_TAG = "ThermalModelEVCrossterms";
      m_InteractionModel = CrosstermsEV;
    }

    virtual ~ThermalModelEVCrossterms(void) { }
 
    // Override functions begin
 
    virtual void ReadInteractionParameters(const std::string &filename);
 
    virtual void WriteInteractionParameters(const std::string &filename);
 
    virtual void SetRadius(double rad) { FillVirial(std::vector<double>(m_TPS->Particles().size(), rad)); }
 
    virtual void SetAttraction(int i, int j, double a);

    virtual void SetMultipleSolutionsMode(bool search);
 
    // Override functions end
 
    const std::vector< std::vector<int> >& EVComponentIndices() const { return VDWComponentIndices(); }
  };

  void SetEVHRGInteractionParameters(ThermalModelBase *model, double b);
 
} // namespace thermalfist
 
#endif