AmIterator.h

#ifndef R1D_AM_ITERATOR_H
#define R1D_AM_ITERATOR_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 "Iterator.h"
#include <r1d/solvers/Mixture.h>
#include <pscf/iterator/AmbdInteraction.h>
#include <pscf/iterator/AmIteratorTmpl.h>
 
namespace Pscf {
namespace R1d
{
 
   class System;
 
   using namespace Util;

   class AmIterator : public AmIteratorTmpl<Iterator, DArray<double> >
   {
 
   public:

      AmIterator(System& system);

      ~AmIterator();

      void readParameters(std::istream& in);
 
      // Inherited public member functions
      using AmIteratorTmpl<Iterator,DArray<double> >::solve;
      using AmIteratorTmpl<Iterator,DArray<double> >::setClassName;
 
   protected:
 
      // Inherited protected members
      using Iterator::system;

      void setup(bool isContinuation);
 
   private:
 
      // Local copy of interaction, adapted for use AMBD residual definition
      AmbdInteraction interaction_;
 
      // -- Virtual functions used to implement AM algorithm -- //

      void setEqual(DArray<double>& a, DArray<double> const & b);

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

      double maxAbs(DArray<double> const & hist);

      void updateBasis(RingBuffer<DArray<double> > & basis,
                       RingBuffer<DArray<double> > const & hists);

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

      void addPredictedError(DArray<double>& fieldTrial,
                             DArray<double> const & resTrial,
                             double lambda);
 
      // -- Virtual funtions to exchange data with parent System -- //

      bool hasInitialGuess();

      int nElements();

      void getCurrent(DArray<double>& curr);

      void evaluate();

      void getResidual(DArray<double>& resid);

      void update(DArray<double>& newGuess);

      void outputToLog();

      bool isCanonical();
 
   };
 
} // namespace R1d
} // namespace Pscf
#endif