rpc/solvers/Mixture.cpp

/*
* PSCF - Mixture Self-Consistent Field Theory
*
* Copyright 2015 - 2025, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/
 
#include "Mixture.h"
#include "Polymer.h"
#include "Solvent.h"
#include "Block.h"
#include "Propagator.h"
#include <rpc/field/FieldIo.h>
#include <prdc/cpu/FFT.h>
#include <prdc/cpu/RField.h>
#include <pscf/cpu/VecOp.h>
 
#include <rp/solvers/Mixture.tpp>
 
namespace Pscf {
namespace Rpc {
 
   using namespace Prdc;
 
   /*
   * Allocate memory for all blocks.
   */
   template <int D>
   void Mixture<D>::allocateBlocks()
   {
      const double ds = RpMixtureT::ds();
      const int np = MixtureBaseT::nPolymer();
      int i, j;
      for (i = 0; i < np; ++i) {
         for (j = 0; j < polymer(i).nBlock(); ++j) {
            polymer(i).block(j).allocate(ds);
         }
      }
   }
 
} 
} 
 
// Explicit instantiation definitions
namespace Pscf {
   template class MixtureTmpl< Rpc::Polymer<1>, Rpc::Solvent<1> >;
   template class MixtureTmpl< Rpc::Polymer<2>, Rpc::Solvent<2> >;
   template class MixtureTmpl< Rpc::Polymer<3>, Rpc::Solvent<3> >;
   namespace Rp { 
      template class Mixture<1, Rpc::Types<1> >;
      template class Mixture<2, Rpc::Types<2> >;
      template class Mixture<3, Rpc::Types<3> >;
   }
   namespace Rpc { 
      template class Mixture<1>;
      template class Mixture<2>;
      template class Mixture<3>;
   }
}