calculateTransportProperties.H
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25 
27 {
28  OFstream vacfFile(runTime.path()/"vacf");
29 
30  if (!vacf.writeAveraged(vacfFile))
31  {
33  << "Failed writing to "
34  << vacfFile.name()
35  << abort(FatalError);
36  }
37 }
38 
39 Info<< "Diffusion coefficient = "
40  << vacf.integral() << endl;
41 
42 if (writePacf)
43 {
44  OFstream pacfFile(runTime.path()/"pacf");
45 
46  if (!pacf.writeAveraged(pacfFile))
47  {
49  << "Failed writing to "
50  << pacfFile.name()
51  << abort(FatalError);
52  }
53 }
54 
55 Info<< "Viscosity = "
56  << pacf.integral()/averageTemperature/moleculeCloud::kb/meshVolume
57  << endl;
58 
59 if (writeHFacf)
60 {
61  OFstream hfacfFile
62  (
63  runTime.path()/ + "hfacf"
64  );
65 
66  if (!hfacf.writeAveraged(hfacfFile))
67  {
69  << "Failed writing to "
70  << hfacfFile.name()
71  << abort(FatalError);
72  }
73 }
74 
75 Info<< "Thermal conductivity = "
76  << hfacf.integral()
79  /moleculeCloud::kb
80  / meshVolume
81  << endl;
error FatalError
#define FatalErrorInFunction
Report an error message using Foam::FatalError.
Definition: error.H:306
bool writePacf(Switch(pressureACFDict.lookup("writeFile")))
Ostream & endl(Ostream &os)
Add newline and flush stream.
Definition: Ostream.H:251
Info<< tab<< "pressure"<< endl;const dictionary &pressureACFDict(autocorrelationFunctionDict.subDict("pressure"));correlationFunction< vector > pacf(mesh, pressureACFDict, 1)
Pressure autocorrelation function.
Info<< tab<< "heat flux"<< endl;const dictionary &heatFluxACFDict(autocorrelationFunctionDict.subDict("heatFlux"));correlationFunction< vector > hfacf(mesh, heatFluxACFDict, 1)
Heat flux autocorrelation function.
bool writeVacf(Switch(velocityACFDict.lookup("writeFile")))
errorManip< error > abort(error &err)
Definition: errorManip.H:131
Info<< nl<< "Creating autocorrelation functions."<< endl;IOdictionary mdTransportPropertiesDict(IOobject("mdTransportPropertiesDict", mesh.time().system(), mesh, IOobject::MUST_READ_IF_MODIFIED, IOobject::NO_WRITE, false));const dictionary &autocorrelationFunctionDict(mdTransportPropertiesDict.subDict("autocorrelationFunctions"));Info<< tab<< "velocity"<< endl;const dictionary &velocityACFDict(autocorrelationFunctionDict.subDict("velocity"));correlationFunction< vector > vacf(mesh, velocityACFDict, molecules.size())
scalar averageTemperature
messageStream Info
bool writeHFacf(Switch(heatFluxACFDict.lookup("writeFile")))