Simpatico  v1.10
MdStressAutoCorr.h
1 #ifndef MCMD_MD_STRESS_AUTOCORR_H
2 #define MCMD_MD_STRESS_AUTOCORR_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/StressAutoCorr.h> // base class template
12 #include <mcMd/mdSimulation/MdSystem.h> // base template parameter
13 
14 namespace McMd
15 {
16 
46  class MdStressAutoCorr : public StressAutoCorr<MdSystem>
47  {
48  public:
49 
56 
61 
62  protected:
63 
69  void computeStress(Tensor& stress);
70 
71  };
72 
73 }
74 #endif
Compute stress autocorrelation for an isotropic system.
~MdStressAutoCorr()
Destructor.
void computeStress(Tensor &stress)
Compute total stress tensor.
MdSystem & system()
Return reference to parent system.
A Tensor represents a Cartesian tensor.
Definition: Tensor.h:32
Single-processor Monte Carlo (MC) and molecular dynamics (MD).
MdStressAutoCorr(MdSystem &system)
Constructor.
A System for Molecular Dynamics simulation.
Definition: MdSystem.h:68
Analyzer to calculate average isotropic pressure.