pspc/solvers/Polymer.h

#ifndef PSPC_POLYMER_H
#define PSPC_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 <pscf/solvers/PolymerTmpl.h>
#include <pspc/field/RField.h>
#include <util/containers/FArray.h>      // member template
 
namespace Pscf { 
namespace Pspc { 
 
   template <int D>
   class Polymer : public PolymerTmpl< Block<D> >
   {
 
   public:
 
      typedef PolymerTmpl< Block<D> > Base;
 
      Polymer();
 
      ~Polymer();
 
      void setPhi(double phi);
 
      void setMu(double mu);
 
      void setupUnitCell(UnitCell<D> const & unitCell);
 
      void compute(DArray< RField<D> > const & wFields, 
                   double phiTot = 1.0);
 
      void computeStress();
 
      double stress(int n) const;
 
      // Inherited public functions
      using Base::nBlock;
      using Base::block;
      using Base::ensemble;
      using Base::solve;
      using Base::length;
 
   protected:
 
      using ParamComposite::setClassName;
      using Base::phi_;
      using Base::mu_;
 
   private: 
 
      FArray<double, 6> stress_;
 
      const UnitCell<D>* unitCellPtr_;
 
   };
 
   template <int D>
   inline double Polymer<D>::stress(int n) const
   {  return stress_[n]; }
  
   #ifndef PSPC_POLYMER_TPP
   // Supress implicit instantiation
   extern template class Polymer<1>;
   extern template class Polymer<2>;
   extern template class Polymer<3>;
   #endif
 
}
}
#endif