Simpatico  v1.10
OutputStressTensor.h
1 #ifndef DDMD_OUTPUT_STRESS_TENSOR_H
2 #define DDMD_OUTPUT_STRESS_TENSOR_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  class Simulation;
18  using namespace Util;
19 
26  {
27 
28  public:
29 
35  OutputStressTensor(Simulation& simulation);
36 
41  {}
42 
48  virtual void readParameters(std::istream& in);
49 
55  virtual void loadParameters(Serializable::IArchive &ar);
56 
62  virtual void save(Serializable::OArchive &ar);
63 
67  virtual void clear();
68 
72  virtual void setup();
73 
79  virtual void sample(long iStep);
80 
81  private:
82 
84  std::ofstream outputFile_;
85 
87  long nSample_;
88 
90  long isInitialized_;
91 
92  };
93 
94 }
95 #endif
Abstract base for periodic output and/or analysis actions.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
Saving / output archive for binary ostream.
Periodically write (tensor) StressTensor to file.
Utility classes for scientific computation.
Definition: accumulators.mod:1
virtual ~OutputStressTensor()
Destructor.
Saving archive for binary istream.