rpg/scft/iterator/AmIteratorGrid.h

#ifndef RPG_AM_ITERATOR_GRID_H
#define RPG_AM_ITERATOR_GRID_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 <prdc/cuda/types.h>                 // base class argument
#include <pscf/cuda/DeviceArray.h>           // base class argument
#include <pscf/iterator/AmIteratorTmpl.h>    // base class template
 
#include <pscf/iterator/AmbdInteraction.h>   // member variable
#include <util/containers/DArray.h>          // base class argument
#include <util/containers/RingBuffer.h>      // method input variable
 
namespace Pscf {
namespace Rpg {
 
   template <int D> class System;
 
   using namespace Util;
   using namespace Prdc;
   using namespace Prdc::Cuda;

   template <int D>
   class AmIteratorGrid 
     : public AmIteratorTmpl<Iterator<D>, DeviceArray<cudaReal> >
   {
 
   public:
 
      // Public typename aliases.

      using VectorT = DeviceArray<cudaReal>;

      using Base = AmIteratorTmpl<Iterator<D>, VectorT >;
 
      // Public member functions

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

      void readParameters(std::istream& in);

      void outputTimers(std::ostream& out) const;
 
      // Inherited public member functions
      using Base::solve;
      using Base::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 Base::verbose;
      using Base::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;
      using ParamComposite::setClassName;

      void setup(bool isContinuation) override;
 
   private:

      AmbdInteraction interaction_;

      double scaleStress_;
 
      // Private virtual functions that interact with parent system

      int nElements() override;

      bool hasInitialGuess() override;
     
      void getCurrent(VectorT& curr) override;

      void evaluate() override;

      void getResidual(VectorT& resid) override;

      void update(VectorT& newGuess) override;

      void outputToLog() override;
 
      // Private virtual functions for vector math
      
      void setEqual(VectorT& a, VectorT const & b) override;

      double dotProduct(VectorT const & a, 
                        VectorT const & b) override;

      double maxAbs(VectorT const & a) override;

      void subVV(VectorT& a, 
                 VectorT const & b, 
       VectorT const & c) override;

      void addEqVc(VectorT& a, 
         VectorT const & b, double c) override;
 
      // --- Private member function specific to this implementation --- 
      
      cudaReal findAverage(VectorT const & field);
 
   };
 
   // Explicit instantiation declarations
   extern template class AmIteratorGrid<1>;
   extern template class AmIteratorGrid<2>;
   extern template class AmIteratorGrid<3>;
 
} // namespace Rpg
} // namespace Pscf
#endif