rpc/scft/iterator/AmIteratorBasis.h

#ifndef RPC_AM_ITERATOR_BASIS_H
#define RPC_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 
 
// Forward declarations
namespace Util {
   template <typename T> class DArray;
}
namespace Pscf {
   namespace Rpc {
      template <int D> class System;
   }
}
 
namespace Pscf {
namespace Rpc {
 
   using namespace Util;

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

      AmIteratorBasis(System<D>& system);

      ~AmIteratorBasis();

      void readParameters(std::istream& in) override;

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

      using AmTmpl = AmIteratorTmpl< Iterator<D>, DArray<double> >;
 
      // Inherited public member functions
      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) override;
 
   private:

      AmbdInteraction interaction_;

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

      bool hasInitialGuess() override;

      int nElements() 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;
 
   };
 
   // Explicit instantiation declarations
   extern template class AmIteratorBasis<1>;
   extern template class AmIteratorBasis<2>;
   extern template class AmIteratorBasis<3>;
 
} // namespace Rpc
} // namespace Pscf
#endif