fts/simulator/SimState.h

#ifndef RP_SIM_STATE_H
#define RP_SIM_STATE_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 <pscf/math/IntVec.h>         // template with default parameter
#include <util/containers/DArray.h>   // member
 
namespace Pscf {
namespace Rp {
 
   using namespace Util;

   template <int D, class FT>
   struct SimState 
   {
 
   public:
 
      // Public data members

      DArray<FT> w;

      DArray<FT> wc;
      
      DArray<FT> cc;
      
      DArray<FT> dc;
      
      double hamiltonian;
      
      double idealHamiltonian;
      
      double fieldHamiltonian;
            
      double perturbationHamiltonian;
            
      bool needsCc;
      
      bool needsDc;
      
      bool needsHamiltonian;

      bool hasData;
      
      bool isAllocated;
 
      // Public member function
 
      void allocate(int nMonomer, IntVec<D> const & dimensions);
 
   protected:
 
      SimState();

      ~SimState() = default;
 
   };
 
}
}
#endif