Simpatico  v1.10
ddMd/analyzers/trajectory/ConfigWriter.h
1 #ifndef DDMD_CONFIG_WRITER_H
2 #define DDMD_CONFIG_WRITER_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 
36  class ConfigWriter : public Analyzer
37  {
38 
39  public:
40 
46  ConfigWriter(Simulation& simulation);
47 
51  virtual ~ConfigWriter()
52  {}
53 
59  virtual void readParameters(std::istream& in);
60 
66  virtual void loadParameters(Serializable::IArchive &ar);
67 
73  virtual void save(Serializable::OArchive &ar);
74 
78  virtual void clear();
79 
85  virtual void sample(long iStep);
86 
87  private:
88 
90  std::ofstream outputFile_;
91 
93  long nSample_;
94 
96  long isInitialized_;
97 
98  };
99 
100 }
101 #endif
Abstract base for periodic output and/or analysis actions.
Periodically write simulation configuration to a new file.
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
Saving archive for binary istream.