AmIteratorGrid.h

#ifndef PSPG_AM_ITERATOR_GRID_H
#define PSPG_AM_ITERATOR_GRID_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 "Iterator.h"                        // base class
#include <pscf/iterator/AmIteratorTmpl.h>    // base class template
#include <pscf/iterator/AmbdInteraction.h>   // member variable
 
namespace Pscf {
namespace Pspg
{
 
   template <int D>
   class System;
 
   using namespace Util;
 
   template <int D>
   class AmIteratorGrid : public AmIteratorTmpl<Iterator<D>, FieldCUDA>
   {
 
   public:
 
      AmIteratorGrid(System<D>& system);
 
      ~AmIteratorGrid();
 
      void readParameters(std::istream& in);
 
      using AmIteratorTmpl<Iterator<D>,FieldCUDA>::solve;
      using Iterator<D>::isFlexible;
 
   protected:
 
      using ParamComposite::readOptional;
      using Iterator<D>::system;
      using Iterator<D>::isFlexible_;
 
      void setup(bool isContinuation);
 
   private:
 
      AmbdInteraction interaction_;
 
      double scaleStress_;
 
      // Virtual functions used to implement AM algorithm
      
      void setEqual(FieldCUDA& a, FieldCUDA const & b);
 
      double dotProduct(FieldCUDA const & a, FieldCUDA const & b);
 
      double maxAbs(FieldCUDA const & a);
 
      #if 0
      double norm(FieldCUDA const & a);
 
      double computeUDotProd(RingBuffer<FieldCUDA> const & resBasis, 
                             int m, int n);
 
      double computeVDotProd(FieldCUDA const & resCurrent, 
                             RingBuffer<FieldCUDA> const & resBasis, 
                             int m);
 
      void updateU(DMatrix<double> & U, 
                   RingBuffer<FieldCUDA> const & resBasis, 
                   int nHist);
 
      void updateV(DArray<double> & v, 
                   FieldCUDA const & resCurrent, 
                   RingBuffer<FieldCUDA> const & resBasis, 
                   int nHist);
      #endif
 
      void updateBasis(RingBuffer<FieldCUDA> & basis, 
                       RingBuffer<FieldCUDA> const & hists);
 
      void addHistories(FieldCUDA& trial, 
                        RingBuffer<FieldCUDA> const & basis, 
                        DArray<double> coeffs, int nHist);
 
      void addPredictedError(FieldCUDA& fieldTrial, 
                             FieldCUDA const & resTrial, 
                             double lambda);
 
      bool hasInitialGuess();
     
      int nElements();
 
      /*
      * Get the current state of the system.
      *
      * \param curr current field vector (output)
      */
      void getCurrent(FieldCUDA& curr);
 
      void evaluate();
 
      void getResidual(FieldCUDA& resid);
 
      void update(FieldCUDA& newGuess);
 
      void outputToLog();
 
      // --- Private member functions specific to this implementation --- 
      
      cudaReal findAverage(cudaReal const * field, int n);
 
   };
 
} // namespace Pspg
} // namespace Pscf
#endif