calculateAutoCorrelationFunctions.H

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    Copyright (C) 2011-2016 OpenFOAM Foundation
    Copyright (C) 2019 OpenCFD Ltd.
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License
    This file is part of OpenFOAM.
 
    OpenFOAM is free software: you can redistribute it and/or modify it
    under the terms of the GNU General Public License as published by
    the Free Software Foundation, either version 3 of the License, or
    (at your option) any later version.
 
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    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
    for more details.
 
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if (mesh.time().timeIndex() % vacf.sampleSteps() == 0)
{
    Field<vector> uVals(molecules.size());
 
    label uV = 0;
 
    for (const molecule& mol : molecules)
    {
        uVals[uV] = mol.U();
 
        ++uV;
    }
 
    vacf.calculateCorrelationFunction(uVals);
}
 
if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
{
    vector p = Zero;
 
    for (const molecule& mol : molecules)
    {
        p.x() +=
            mol.mass() * mol.U().y() * mol.U().z()
          + 0.5*mol.rf().yz();
 
        p.y() +=
            mol.mass() * mol.U().z() * mol.U().x()
          + 0.5*mol.rf().zx();
 
        p.z() +=
            mol.mass() * mol.U().x() * mol.U().y()
          + 0.5*mol.rf().xy();
    }
 
    pacf.calculateCorrelationFunction(p);
}
 
if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
{
    vector s = Zero;
 
    for (const molecule& mol : molecules)
    {
        s +=
        (
            0.5*mol.mass()*magSqr(mol.U())
          + mol.potentialEnergy()
        )*mol.U()
      + 0.5*(mol.rf() & mol.U());
    }
 
    hfacf.calculateCorrelationFunction(s);
}