VirialStressTensor.h

#ifndef DDMD_VIRIAL_STRESS_TENSOR_H
#define DDMD_VIRIAL_STRESS_TENSOR_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 <ddMd/analyzers/Analyzer.h>
#include <ddMd/simulation/Simulation.h>
#include <util/mpi/MpiLoader.h>
#include <util/space/Tensor.h>
#include <util/accumulators/Average.h>

namespace DdMd
{

   using namespace Util;

   class VirialStressTensor : public Analyzer
   {
   
   public:
   
      VirialStressTensor(Simulation& simulation);
   
      virtual ~VirialStressTensor()
      {} 
   
      virtual void readParameters(std::istream& in);
   
      virtual void loadParameters(Serializable::IArchive &ar);

      virtual void save(Serializable::OArchive &ar);
  
      virtual void clear();
  
      virtual void sample(long iStep);

   private:

      std::ofstream outputFile_;
   
      int   nSample_;

      bool  isInitialized_;

   };

}
#endif