rpc/solvers/Mixture.h

#ifndef RPC_MIXTURE_H
#define RPC_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/MixturePrdc.h>     // base class template
#include "Polymer.h"                      // base class parameter
#include "Solvent.h"                      // base class parameter
 
namespace Pscf {
namespace Rpc {

   template <int D>
   class Mixture : public MixturePrdc<D, Polymer<D>, Solvent<D> >
   {
 
   public:
 
      using MixturePrdcT 
         = typename Prdc::MixturePrdc<D, Polymer<D>, Solvent<D> >;
 
      // Inherited public type name aliases 
      using typename MixturePrdcT::MixtureTmplT;
      using typename MixturePrdcT::PolymerT;
      using typename MixturePrdcT::SolventT;
      using typename MixturePrdcT::BlockT;
      using typename MixturePrdcT::PropagatorT;
      using typename MixturePrdcT::FieldT;
      using typename MixturePrdcT::FFTT;
      using typename MixturePrdcT::WaveListT;
 
      // Inherited public member functions
 
      using MixturePrdcT::readParameters;
      using MixturePrdcT::associate;
      using MixturePrdcT::allocate;
      using MixturePrdcT::clearUnitCellData;
      using MixturePrdcT::setKuhn;
      using MixturePrdcT::compute;
      using MixturePrdcT::computeStress;
      using MixturePrdcT::hasStress;
      using MixturePrdcT::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 MixturePrdcT::mesh;
      using MixturePrdcT::ds;
 
   private:

      void eqS(FieldT& A, double s) const override;

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

      void allocateBlocks() override; 
 
   };
 
   // Explicit instantiation declarations for derived class
   extern template class Mixture<1>;
   extern template class Mixture<2>;
   extern template class Mixture<3>;
 
} // namespace Rpc
namespace Prdc {
   // Explicit instantiation declarations for base class
   extern template class MixturePrdc<1, Rpc::Polymer<1>, Rpc::Solvent<1> >;
   extern template class MixturePrdc<2, Rpc::Polymer<2>, Rpc::Solvent<2> >;
   extern template class MixturePrdc<3, Rpc::Polymer<3>, Rpc::Solvent<3> >;
} // namespace Prdc
} // namespace Pscf
#endif