HybridNphMdMove.h

#ifndef MCMD_HYBRID_NPH_MD_MOVE_H
#define MCMD_HYBRID_NPH_MD_MOVE_H

/*
* Simpatico - Simulation Package for Polymeric and Molecular Liquids
*
* Copyright 2010 - 2017, The Regents of the University of Minnesota
* Distributed under the terms of the GNU General Public License.
*/

#include <mcMd/mcMoves/SystemMove.h>  // base class
#include <util/containers/DArray.h>   // member template
#include <util/space/Vector.h>        // member template parameter
#include <mcMd/mdIntegrators/NphIntegrator.h>         

namespace McMd
{

   using namespace Util;

   class McSystem;
   class MdSystem;
   

   class HybridNphMdMove : public SystemMove 
   {
   
   public:
   
      HybridNphMdMove(McSystem& system);
   
      ~HybridNphMdMove();
   
      virtual void readParameters(std::istream& in);
   
      virtual void loadParameters(Serializable::IArchive &ar);

      virtual void save(Serializable::OArchive &ar);

      bool move();
   
   private:
  
      MdSystem      *mdSystemPtr_;  
   
      DArray<Vector> oldPositions_; 

      int            nStep_;
      
      NphIntegrator* nphIntegratorPtr_;

      double barostatMass_;

      LatticeSystem mode_;

   };

}      
#endif