Simpatico  v1.10
LogStep.h
1 #ifndef TOOLS_LOG_STEP_H
2 #define TOOLS_LOG_STEP_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 <tools/analyzers/Analyzer.h> // base class template
12 
13 namespace Tools
14 {
15 
16  using namespace Util;
17 
23  class LogStep : public Analyzer
24  {
25 
26  public:
27 
33  LogStep(Configuration &configuration)
34  : Analyzer(configuration)
35  {}
36 
42  virtual void readParameters(std::istream& in){}
43 
47  virtual void setup(){};
48 
54  virtual void sample(long iStep)
55  { std::cout << "iStep = " << iStep << std::endl; }
56 
60  virtual void output(){};
61 
62  };
63 
64 }
65 #endif
virtual void sample(long iStep)
Evaluate end-to-end vectors of all chains, add to ensemble.
Definition: LogStep.h:54
Write step number to log.
Definition: LogStep.h:23
Abstract base for periodic output and/or analysis actions.
An instantaneous molecular dynamics configuration.
Definition: Configuration.h:40
virtual void output()
Output results to file after simulation is completed.
Definition: LogStep.h:60
Utility classes for scientific computation.
Definition: accumulators.mod:1
virtual void setup()
Determine number of molecules and allocate memory.
Definition: LogStep.h:47
Single-processor classes for pre- and post-processing MD trajectories.
LogStep(Configuration &configuration)
Constructor.
Definition: LogStep.h:33
virtual void readParameters(std::istream &in)
Read parameters from file.
Definition: LogStep.h:42