rpg/scft/iterator/AmIteratorBasis.h

#ifndef RPG_AM_ITERATOR_BASIS_H
#define RPG_AM_ITERATOR_BASIS_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"                        // base class argument
#include <pscf/iterator/AmIteratorDArray.h>  // base class template
#include <pscf/iterator/AmbdInteraction.h>   // member variable
#include <util/containers/DArray.h>          // function argument
#include <util/containers/RingBuffer.h>      // function argument
 
namespace Pscf {
namespace Rpg {
 
   // Forward declaration
   template <int D> class System;
 
   using namespace Util;

   template <int D>
   class AmIteratorBasis : public AmIteratorDArray< Iterator<D> >
   {
 
   public:

      AmIteratorBasis(System<D>& system);
 
      ~AmIteratorBasis();

      void readParameters(std::istream& in);

      void outputTimers(std::ostream& out) const;

      using AmTmpl = AmIteratorTmpl<Iterator<D>, DArray<double> >;
 
      // Inherited public member functions
      using AmTmpl::solve;
      using AmTmpl::clearTimers;
      using Iterator<D>::isFlexible;
      using Iterator<D>::flexibleParams;
      using Iterator<D>::setFlexibleParams;
      using Iterator<D>::nFlexibleParams;
      using Iterator<D>::stress;
 
   protected:
 
      // Inherited protected members
      using AmTmpl::verbose;
      using AmTmpl::residual;
      using Iterator<D>::system;
      using Iterator<D>::isSymmetric_;
      using Iterator<D>::isFlexible_;
      using Iterator<D>::flexibleParams_;
      using ParamComposite::readOptional;
      using ParamComposite::readParamCompositeOptional;
      using ParamComposite::readOptionalFSArray;

      void setup(bool isContinuation);
 
   private:

      AmbdInteraction interaction_;

      double scaleStress_;
 
      // Private virtual functions that interact with parent System.
      
      int nElements() override;

      bool hasInitialGuess() override;
     
      void getCurrent(DArray<double>& curr) override;

      void evaluate() override;

      void getResidual(DArray<double>& resid) override;

      void update(DArray<double>& newGuess) override;

      void outputToLog() override;
 
      #if 0
      // Private virtual functions for vector math
      
      void setEqual(DArray<double>& a, 
                    DArray<double> const & b) override;

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

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

      void subVV(DArray<double>& a, 
                 DArray<double> const & b, 
       DArray<double> const & c) override;

      void addEqVc(DArray<double>& a, 
         DArray<double> const & b, double c) override;
      #endif
 
 
   };
 
   // Explicit instantiation declarations
   extern template class AmIteratorBasis<1>;
   extern template class AmIteratorBasis<2>;
   extern template class AmIteratorBasis<3>;
 
} // namespace Rpg
} // namespace Pscf
#endif