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/MixturePrdc.h>     // base class template
#include <rpg/system/Types.h>             // template argument
 
namespace Pscf {
namespace Rpg {
 
   // Forward declarations
   template <int D> class Polymer;
   template <int D> class Solvent;
 
   using namespace Util;
   using namespace Prdc;

   template <int D>
   class Mixture 
     : public MixturePrdc<D, Polymer<D>, Solvent<D>, Types<D> >
   {
 
   public:

      using MixturePrdcT
       = typename Prdc::MixturePrdc<D, Polymer<D>, Solvent<D>, Types<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;
 
      // Public member functions

      Mixture();

      void readParameters(std::istream& in) override;
 
      // 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:
 
      // 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;
 
   };
 
   // Explicit instantiation declarations
   extern template class Mixture<1>;
   extern template class Mixture<2>;
   extern template class Mixture<3>;
 
} // namespace Rpg
 
namespace Prdc {
   // Explicit instantiation declarations for base class
   extern template 
   class MixturePrdc<1, Rpg::Polymer<1>, Rpg::Solvent<1>, Rpg::Types<1> >;
   extern template 
   class MixturePrdc<2, Rpg::Polymer<2>, Rpg::Solvent<2>, Rpg::Types<2> >;
   extern template 
   class MixturePrdc<3, Rpg::Polymer<3>, Rpg::Solvent<3>, Rpg::Types<3> >;
 
} // namespace Prdc
 
} // namespace Pscf
#endif