Simpatico  v1.10
VirialStressAnalyzer.h
1 #ifndef DDMD_VIRIAL_STRESS_ANALYZER_H
2 #define DDMD_VIRIAL_STRESS_ANALYZER_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/SymmTensorAverageAnalyzer.h>
12 
13 namespace DdMd
14 {
15 
16  using namespace Util;
17 
26  {
27 
28  public:
29 
35  VirialStressAnalyzer(Simulation& simulation);
36 
40  virtual ~VirialStressAnalyzer();
41 
42  protected:
43 
49  virtual void compute();
50 
56  virtual Tensor value();
57 
58  };
59 
60 }
61 #endif
Output and evaluate average of virial stress tensor.
Parallel domain decomposition (DD) MD simulation.
Main object for a domain-decomposition MD simulation.
A Tensor represents a Cartesian tensor.
Definition: Tensor.h:32
Utility classes for scientific computation.
Definition: accumulators.mod:1
Analyzer that computes average of a sequence of symmetric Tensor values.