Simpatico  v1.10
BondTensorAutoCorr.h
1 #ifndef DDMD_BOND_TENSOR_AUTO_CORR_H
2 #define DDMD_BOND_TENSOR_AUTO_CORR_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/AutoCorrAnalyzer.h>
12 #include <util/space/Tensor.h>
13 
14 namespace DdMd
15 {
16 
17  using namespace Util;
18 
24  class BondTensorAutoCorr : public AutoCorrAnalyzer<Tensor, double>
25  {
26 
27  public:
28 
34  BondTensorAutoCorr(Simulation& simulation);
35 
39  virtual ~BondTensorAutoCorr();
40 
48 
49  protected:
50 
51  virtual void computeData();
52  virtual Tensor data();
53 
54  private:
55 
56  Tensor bondTensor_;
57 
58  };
59 
60 }
61 #endif
Compute an autocorrelation function for a sequence of Data values.
Calculate stress autocorrelation function.
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