FourierMove.h

#ifndef RPG_FOURIER_MOVE_H
#define RPG_FOURIER_MOVE_H
 
/*
* PSCF - Polymer Self-Consistent Field Theory
*
* Copyright 2016 - 2022, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include "McMove.h"                          // base class
#include <prdc/cuda/RFieldDft.h> 
#include <prdc/cuda/RField.h>
#include <util/containers/DArray.h>
 
namespace Pscf {
namespace Rpg
{
 
   using namespace Util;
   using namespace Pscf::Prdc;
   using namespace Pscf::Prdc::Cuda;
 
   template <int D>
   class FourierMove : public McMove<D>
   {
 
   public:
 
      FourierMove(McSimulator<D>& simulator);
 
      ~FourierMove();
 
      void readParameters(std::istream &in);
      
      void output();
      
      void setup();
      
      void outputTimers(std::ostream& out);
      
      // Inherited public member function
      using McMove<D>::move;
      using McMove<D>::readProbability;
      using McMove<D>::clearTimers;
      using ParamComposite::read;
      using ParamComposite::setClassName;
 
   protected:
      
      using McMove<D>::system;
      using McMove<D>::random;
      using McMove<D>::cudaRandom;
      
      void attemptMove();
 
 
   private:
      
      void computeRgSquare();
      
      double computeF(double x);
      
      double computeDebye(double f, double x);
      
      double computeS(double qSquare);
      
      void computeStructureFactor();
      
      double stepSize_;
     
      double fStar_;
      
      double tau_;
      
      double f_;
      
      double n_;
 
      double b_;
      
      double rgSquare_;
      
      RField<D> sqrtSq_; 
      
      RField<D> randomFieldR_;
      
      RField<D> randomFieldK_;
      
      DArray< RField<D> > wRGrid_;
      
      DArray< RFieldDft<D> > wKGrid_;
      
      DArray< RField<D> > wFieldTmp_;
      
      bool isAllocated_;
      
   };
      
   #ifndef RPG_FOURIER_MOVE_TPP
   // Suppress implicit instantiation
   extern template class FourierMove<1>;
   extern template class FourierMove<2>;
   extern template class FourierMove<3>;
   #endif
 
}
}
#endif