rpg/fts/compressor/LrCompressor.h

#ifndef RPG_LR_COMPRESSOR_H
#define RPG_LR_COMPRESSOR_H
 
/*
* PSCF - Polymer Self-Consistent Field
*
* Copyright 2015 - 2025, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include "Compressor.h"
#include <prdc/cuda/RField.h>
#include <prdc/cuda/RFieldDft.h>
#include <util/containers/DArray.h>
#include <util/containers/DMatrix.h>
#include <util/misc/Timer.h>
#include <rpg/fts/compressor/IntraCorrelation.h>  
 
namespace Pscf {
namespace Rpg
{
 
   template <int D> class System;
 
   using namespace Util;
   using namespace Pscf::Prdc;
   using namespace Pscf::Prdc::Cuda;

   template <int D>
   class LrCompressor : public Compressor<D>
   {
 
   public:

      LrCompressor(System<D>& system);

      ~LrCompressor();

      void readParameters(std::istream& in);

      void setup();

      int compress();
 
      double subspacePercent(){return 0;};
 
      double correctionPercent(){return 0;};

      void outputTimers(std::ostream& out) const;
 
      void clearTimers();
 
   protected:
 
      // Inherited protected members
      using Compressor<D>::mdeCounter_;
      using ParamComposite::read;
      using ParamComposite::readOptional;
      using ParamComposite::setClassName;
 
   private:
 
      // Error tolerance.
      double epsilon_;
 
      // Current iteration counter.
      int itr_;
 
      // Maximum number of iterations.
      int maxItr_;
 
      // Total iteration counter.
      int totalItr_;
 
      // Timers for analyzing performance.
      Timer timerTotal_;
      Timer timerMDE_;
 
      // Type of error criterion used to test convergence
      std::string errorType_;
 
      // Verbosity level.
      int verbose_;

      IntVec<D> kMeshDimensions_;
      
      int kSize_;

      RField<D> intraCorrelationK_;

      RField<D> resid_;

      RFieldDft<D> residK_;
      
      DArray< RField<D> > wFieldTmp_;

      void getResidual();

      void updateWFields();

      double computeError(int verbose);

      double maxAbs(RField<D> const & a);

      double dotProduct(RField<D> const & a, RField<D> const & b);

      double norm(RField<D> const & a);

      void outputToLog();
      
      IntraCorrelation<D> intra_;
      
      bool isIntraCalculated_;
      
      bool isAllocated_;
      
      // Private inherited members
      using Compressor<D>::system;
 
   };
   
   #ifndef RPG_LR_COMPRESSOR_TPP
   // Suppress implicit instantiation
   extern template class LrCompressor<1>;
   extern template class LrCompressor<2>;
   extern template class LrCompressor<3>;
   #endif
 
} // namespace Rpg
} // namespace Pscf
#endif