Simpatico  v1.10
McStressAutoCorrelation.h
1 #ifndef MCMD_MD_STRESS_AUTOCORRELATION_H
2 #define MCMD_MD_STRESS_AUTOCORRELATION_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 <mcMd/analyzers/system/StressAutoCorrelation.h> // base class template
12 #include <mcMd/mdSimulation/MdSystem.h> // base template parameter
13 
14 namespace McMd
15 {
16 
23  class McStressAutoCorrelation : public StressAutoCorrelation<McSystem>
24  {
25  public:
26 
33 
38 
39  /*
40  * Evaluate pressure, and add to accumulator.
41  */
42  void sample(long iStep);
43 
44  };
45 
46 }
47 #endif
A System for use in a Markov chain Monte Carlo simulation.
Definition: McSystem.h:52
McStressAutoCorrelation(McSystem &system)
Constructor.
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
Analyzer to calculate average isotropic pressure.