NrIterator.h

#ifndef R1D_NR_ITERATOR_H
#define R1D_NR_ITERATOR_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 <r1d/solvers/Mixture.h>
#include <pscf/math/LuSolver.h>
#include <util/containers/Array.h>
#include <util/containers/DArray.h>
#include <util/containers/DMatrix.h>
 
namespace Pscf {
namespace R1d
{
 
   using namespace Util;
 
   class NrIterator : public Iterator
   {
 
   public:
 
      typedef Mixture::WField WField;
 
      typedef Mixture::CField CField;
 
      NrIterator();
 
      NrIterator(System& system);
 
      virtual ~NrIterator();
 
      void readParameters(std::istream& in);
 
      int solve(bool isContinuation = false);
 
   private:
 
      LuSolver solver_;
 
      DArray<WField> wFieldsNew_;
 
      DArray<WField> cFieldsNew_;
 
      DArray<double> cArray_;
 
      DArray<double> wArray_;
 
      DArray<double> residual_;
 
      DMatrix<double> jacobian_;
 
      DArray<double> residualNew_;
 
      DArray<double> dOmega_;
 
      double epsilon_;
 
      int maxItr_;
 
      bool isAllocated_;
 
      bool newJacobian_;
 
      bool needsJacobian_;
 
      bool isCanonical_;
 
      // Private member functions
 
      void setup();
 
      void computeResidual(Array<WField> const & wFields, 
                           Array<WField> const & cFields, 
                           Array<double>& residual);
 
      double residualNorm(Array<double> const & residual) const;
 
      void computeJacobian();
 
      void incrementWFields(Array<WField> const & wOld,
                            Array<double> const & dW,
                            Array<WField>& wNew);
 
   };
 
} // namespace R1d
} // namespace Pscf
#endif