src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H

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  14     option) any later version.
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  25 \*---------------------------------------------------------------------------*/
  26
  27 Info << nl << "Creating autocorrelation functions." << endl;
  28
  29 IOdictionary mdTransportProperitesDict
  30 (
  31     IOobject
  32     (
  33         "mdTransportProperitesDict",
  34         mesh.time().system(),
  35         mesh,
  36         IOobject::MUST_READ,
  37         IOobject::NO_WRITE,
  38         false
  39     )
  40 );
  41
  42 const dictionary& autocorrelationFunctionDict
  43 (
  44     mdTransportProperitesDict.subDict("autocorrelationFunctions")
  45 );
  46
  47 //- Velocity autocorrelation function
  48
  49 Info << tab << "velocty" << endl;
  50
  51 const dictionary& velocityACFDict
  52 (
  53     autocorrelationFunctionDict.subDict("velocity")
  54 );
  55
  56 correlationFunction<vector> vacf
  57 (
  58     mesh,
  59     velocityACFDict,
  60     molecules.size()
  61 );
  62
  63 bool writeVacf(Switch(velocityACFDict.lookup("writeFile")));
  64
  65 //- Pressure autocorrelation function
  66
  67 Info << tab << "pressure" << endl;
  68
  69 const dictionary& pressureACFDict
  70 (
  71     autocorrelationFunctionDict.subDict("pressure")
  72 );
  73
  74 correlationFunction<vector> pacf
  75 (
  76     mesh,
  77     pressureACFDict,
  78     1
  79 );
  80
  81 bool writePacf(Switch(pressureACFDict.lookup("writeFile")));
  82
  83 //- Heat flux autocorrelation function
  84
  85 Info << tab << "heat flux" << endl;
  86
  87 const dictionary& heatFluxACFDict
  88 (
  89     autocorrelationFunctionDict.subDict("heatFlux")
  90 );
  91
  92 correlationFunction<vector> hfacf
  93 (
  94     mesh,
  95     heatFluxACFDict,
  96     1
  97 );
  98
  99 bool writeHFacf(Switch(heatFluxACFDict.lookup("writeFile")));