mcMd/mdIntegrators/NvtLangevinIntegrator.h

#ifndef MCMD_NVT_LANGEVIN_INTEGRATOR_H
#define MCMD_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 <mcMd/mdIntegrators/MdIntegrator.h>

#include <iostream>

namespace McMd
{

   using namespace Util;

   class NvtLangevinIntegrator : public MdIntegrator
   {
   
   public:

      NvtLangevinIntegrator(MdSystem& system);

      virtual ~NvtLangevinIntegrator();

      virtual void readParameters(std::istream &in);

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

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

      virtual void setup();

      virtual void step();

   private:

      DArray<double> prefactors_;

      DArray<double> cv_;

      DArray<double> cr_;

      double gamma_;

   };

} 
#endif