Simpatico  v1.10
LogEnergy.h
1 #ifndef DDMD_LOG_ENERGY_H
2 #define DDMD_LOG_ENERGY_H
3 
4 /*
5 * Simpatico - Simulation Package for Polymeric and Molecular Liquids
6 *
7 * Copyright 2010 - 2017, The Regents of the University of Minnesota
8 * Distributed under the terms of the GNU General Public License.
9 */
10 
11 #include <ddMd/analyzers/Analyzer.h>
12 #include <ddMd/simulation/Simulation.h>
13 
14 namespace DdMd
15 {
16 
17  using namespace Util;
18 
29  class LogEnergy : public Analyzer
30  {
31 
32  public:
33 
39  LogEnergy(Simulation& simulation);
40 
44  virtual ~LogEnergy()
45  {}
46 
52  virtual void readParameters(std::istream& in);
53 
59  virtual void loadParameters(Serializable::IArchive &ar);
60 
66  virtual void save(Serializable::OArchive &ar);
67 
71  virtual void clear();
72 
78  virtual void sample(long iStep);
79 
80  private:
81 
83  long nSample_;
84 
86  long isInitialized_;
87 
88  };
89 
90 }
91 #endif
Abstract base for periodic output and/or analysis actions.
Periodically write simulation energies to Log output.
Definition: LogEnergy.h:29
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Saving / output archive for binary ostream.
Utility classes for scientific computation.
Definition: accumulators.mod:1
virtual ~LogEnergy()
Destructor.
Definition: LogEnergy.h:44
Saving archive for binary istream.