ddMd/integrators/NvtLangevinIntegrator.h

#ifndef DDMD_NVT_LANGEVIN_INTEGRATOR_H
#define DDMD_NVT_LANGEVIN_INTEGRATOR_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 "TwoStepIntegrator.h"      // base class

namespace DdMd
{

   class Simulation;
   using namespace Util;

   class NvtLangevinIntegrator : public TwoStepIntegrator
   {

   public:

      NvtLangevinIntegrator(Simulation& simulation);

      ~NvtLangevinIntegrator();

      void readParameters(std::istream& in);

      virtual void loadParameters(Serializable::IArchive &ar);

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

      void setup();

      virtual void integrateStep1();

      virtual void integrateStep2();

   private:

      double  dt_;
  
      double gamma_;

      DArray<double> prefactors_;      

      DArray<double> cv_;

      DArray<double> cr_;

   };

}
#endif