AmIteratorBasis.h

#ifndef PSPG_AM_ITERATOR_BASIS_H
#define PSPG_AM_ITERATOR_BASIS_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"
#include <pscf/iterator/AmIteratorTmpl.h>                 
#include <pscf/iterator/AmbdInteraction.h>   // member variable
 
namespace Pscf {
namespace Pspg
{
 
   template <int D>
   class System;
 
   using namespace Util;
 
   template <int D>
   class AmIteratorBasis : public AmIteratorTmpl<Iterator<D>, DArray<double> >
   {
 
   public:
 
      AmIteratorBasis(System<D>& system);
 
      ~AmIteratorBasis();
 
      void readParameters(std::istream& in);
 
      using Iterator<D>::isFlexible;
      using AmIteratorTmpl<Iterator<D>, DArray<double> >::solve;
 
   protected:
 
      using ParamComposite::readOptional;
      using Iterator<D>::system;
      using Iterator<D>::isFlexible_;
      using AmIteratorTmpl<Iterator<D>, DArray<double> >::setClassName;
      using AmIteratorTmpl<Iterator<D>, DArray<double> >::verbose;
 
      void setup(bool isContinuation);
 
   private:
 
      // Local copy of interaction, adapted for use AMBD residual definition
      AmbdInteraction interaction_;
 
      double scaleStress_;
 
      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);
 
      bool hasInitialGuess();
     
      int nElements();
 
      /*
      * Get the current state of the system.
      *
      * \param curr current field vector (output)
      */
      void getCurrent(DArray<double>& curr);
 
      void evaluate();
 
      void getResidual(DArray<double>& resid);
 
      void update(DArray<double>& newGuess);
 
      void outputToLog();
 
      // --- Private member functions specific to this implementation --- 
      
      cudaReal findAverage(cudaReal * const field, int n);
 
   };
 
} // namespace Pspg
} // namespace Pscf
#endif