rpg/solvers/Mixture.h

#ifndef RPG_MIXTURE_H
#define RPG_MIXTURE_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 <prdc/solvers/MixtureReal.h>     // base class template
#include "Polymer.h"                      // base class parameter
#include "Solvent.h"                      // base class parameter
 
namespace Pscf {
namespace Rpg {

   template <int D>
   class Mixture : public MixtureReal<D, Polymer<D>, Solvent<D> >
   {
 
   public:
 
      using MixtureRealT 
         = typename Prdc::MixtureReal<D, Polymer<D>, Solvent<D> >;
 
      // Inherited public type name aliases 
      using typename MixtureRealT::MixtureTmplT;
      using typename MixtureRealT::PolymerT;
      using typename MixtureRealT::SolventT;
      using typename MixtureRealT::BlockT;
      using typename MixtureRealT::PropagatorT;
      using typename MixtureRealT::FieldT;
      using typename MixtureRealT::FFTT;
      using typename MixtureRealT::WaveListT;
 
      // Public member functions
      
      Mixture();

      void readParameters(std::istream& in) override;
 
      // Inherited public member functions
 
      using MixtureRealT::readParameters;
      using MixtureRealT::associate;
      using MixtureRealT::allocate;
      using MixtureRealT::clearUnitCellData;
      using MixtureRealT::setKuhn;
      using MixtureRealT::compute;
      using MixtureRealT::computeStress;
      using MixtureRealT::hasStress;
      using MixtureRealT::createBlockCRGrid;
 
      using MixtureTmplT::polymer;
      using MixtureTmplT::polymerSpecies;
      using MixtureTmplT::solvent;
      using MixtureTmplT::solventSpecies;
 
      using MixtureBase::nMonomer;
      using MixtureBase::monomer;
      using MixtureBase::nPolymer;
      using MixtureBase::nSolvent;
      using MixtureBase::nBlock;
      using MixtureBase::vMonomer;
      using MixtureBase::isCanonical;
 
   protected:
 
      using MixtureRealT::mesh;
      using MixtureRealT::ds;
 
   private:
 
      // Private member data
     
      bool useBatchedFFT_;
 
      // Private member functions
      
      virtual void eqS(FieldT& A, double s) const override;

      virtual void addEqV(FieldT& A, FieldT const & B) const override;

      virtual void allocateBlocks() override;  
 
   };
 
   // Suppress implicit instantiation
   extern template class Mixture<1>;
   extern template class Mixture<2>;
   extern template class Mixture<3>;
 
} // namespace Rpg
namespace Prdc {
   // Suppress implicit instantiation of base class 
   extern template class MixtureReal<1, Rpg::Polymer<1>, Rpg::Solvent<1> >;
   extern template class MixtureReal<2, Rpg::Polymer<2>, Rpg::Solvent<2> >;
   extern template class MixtureReal<3, Rpg::Polymer<3>, Rpg::Solvent<3> >;
} // namespace Prdc
} // namespace Pscf
#endif