Simpatico  v1.10
KineticEnergyAnalyzer.h
1 #ifndef DDMD_KINETIC_ENERGY_ANALYZER_H
2 #define DDMD_KINETIC_ENERGY_ANALYZER_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/AverageAnalyzer.h>
12 //#include <ddMd/simulation/Simulation.h>
13 //#include <util/accumulators/Average.h>
14 
15 namespace DdMd
16 {
17 
18  using namespace Util;
19 
28  {
29 
30  public:
31 
37  KineticEnergyAnalyzer(Simulation& simulation);
38 
42  virtual ~KineticEnergyAnalyzer();
43 
44  protected:
45 
51  virtual void compute();
52 
58  virtual double value();
59 
60  };
61 
62 }
63 #endif
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Analyze average and block averages of a single floating point variable.
Utility classes for scientific computation.
Definition: accumulators.mod:1
Output and evaluate average of kinetic energy.