pspg/solvers/Polymer.h

#ifndef PSPG_POLYMER_H
#define PSPG_POLYMER_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 "Block.h"
#include <pspg/field/RDField.h>
#include <pscf/solvers/PolymerTmpl.h>
#include <util/containers/FArray.h> 
 
namespace Pscf { 
namespace Pspg { 
 
   template <int D>
   class Polymer : public PolymerTmpl< Block<D> >
   {
 
   public:
 
      typedef PolymerTmpl< Block<D> > Base;
 
      /*
      * Constructor. 
      */
      Polymer();
 
      /*
      * Destructor. 
      */
      ~Polymer();
 
      /*
      * Set the phi (volume fraction) for this species.
      *
      * \param phi volume fraction (input)
      */
      void setPhi(double phi);
 
      /*
      * Set the mu (chemical potential) for this species.
      * 
      * \param mu chemical potential (input)
      */
      void setMu(double mu);
 
      void setupUnitCell(UnitCell<D> const & unitCell, 
                         WaveList<D> const & wavelist);
 
      void compute(DArray< RDField<D> > const & wFields);
 
      void computeStress(WaveList<D> const & wavelist);
 
      double stress(int n);
 
      // public inherited functions with non-dependent names
      using Base::nBlock;
      using Base::block;
      using Base::ensemble;
      using Base::solve;
      using Base::length;
 
   protected:
 
      // protected inherited function with non-dependent names
      using ParamComposite::setClassName;
 
   private: 
 
      // Stress contribution from this polymer species.
      FArray<double, 6> stress_;
     
      // Number of unit cell parameters. 
      int nParams_;
 
      using Base::phi_;
      using Base::mu_;
 
   };
 
   template <int D>
   double Polymer<D>::stress(int n)
   {  return stress_[n]; }
 
   #ifndef PSPG_POLYMER_TPP
   // Suppress implicit instantiation
   extern template class Polymer<1>;
   extern template class Polymer<2>;
   extern template class Polymer<3>;
   #endif
 
}
}
//#include "Polymer.tpp"
#endif