rpg/fts/compressor/LrAmCompressor.h

#ifndef RPG_LR_POST_AM_COMPRESSOR_H
#define RPG_LR_POST_AM_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 <rpg/fts/compressor/IntraCorrelation.h> 
#include <prdc/cpu/RField.h>
#include <prdc/cpu/RFieldDft.h>
#include <pscf/cuda/DeviceArray.h>
#include <pscf/iterator/AmIteratorTmpl.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 LrAmCompressor 
         : public AmIteratorTmpl<Compressor<D>, DeviceArray<cudaReal> >
   {
 
   public:

      LrAmCompressor(System<D>& system);

      ~LrAmCompressor();

      void readParameters(std::istream& in);
 
      void setup(bool isContinuation);      
      
      int compress();    
      
      void outputTimers(std::ostream& out) const;

      void clearTimers();
      
      // Inherited public member functions
      using AmIteratorTmpl<Compressor<D>, DeviceArray<cudaReal> >::setClassName;
      
   protected:
  
      // Inherited protected members 
      using ParamComposite::readOptional;
      using Compressor<D>::mdeCounter_;
 
   private:
   
      int itr_;
      
      DArray< RField<D> > w0_;  
      
      DArray< RField<D> > wFieldTmp_;
      
      RField<D> resid_;
      
      RFieldDft<D> residK_;
     
      RField<D> intraCorrelationK_;
       
      IntVec<D> kMeshDimensions_;
      
      int kSize_;

      void setEqual(DeviceArray<cudaReal>& a, DeviceArray<cudaReal> const & b);

      double dotProduct(DeviceArray<cudaReal> const & a, DeviceArray<cudaReal> const & b);

      double maxAbs(DeviceArray<cudaReal> const & hist);

      void updateBasis(RingBuffer<DeviceArray<cudaReal> > & basis, 
                       RingBuffer<DeviceArray<cudaReal> > const & hists);

      void addHistories(DeviceArray<cudaReal>& trial, 
                        RingBuffer<DeviceArray<cudaReal> > const & basis, 
                        DArray<double> coeffs, 
                        int nHist);

      void addPredictedError(DeviceArray<cudaReal>& fieldTrial, 
                             DeviceArray<cudaReal> const & resTrial, 
                             double lambda);

      bool hasInitialGuess();
     
      int nElements();
 
      void getCurrent(DeviceArray<cudaReal>& curr);

      void evaluate();

      void getResidual(DeviceArray<cudaReal>& resid);

      void update(DeviceArray<cudaReal>& newGuess);

      void outputToLog();
      
      double computeLambda(double r);
      
      bool isIntraCalculated_;
      
      IntraCorrelation<D> intra_;
      
      bool isAllocated_;
    
      // Inherited private members 
      using Compressor<D>::system;
 
   };
   
   #ifndef RPG_LR_POST_AM_COMPRESSOR_TPP
   // Suppress implicit instantiation
   extern template class LrAmCompressor<1>;
   extern template class LrAmCompressor<2>;
   extern template class LrAmCompressor<3>;
   #endif
 
} // namespace Rpg
} // namespace Pscf
#endif