Files
openfoam/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H

99 lines
2.4 KiB
C

/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2008-2011 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
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.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
Info << nl << "Creating autocorrelation functions." << endl;
IOdictionary mdTransportProperitesDict
(
IOobject
(
"mdTransportProperitesDict",
mesh.time().system(),
mesh,
IOobject::MUST_READ_IF_MODIFIED,
IOobject::NO_WRITE,
false
)
);
const dictionary& autocorrelationFunctionDict
(
mdTransportProperitesDict.subDict("autocorrelationFunctions")
);
//- Velocity autocorrelation function
Info << tab << "velocty" << endl;
const dictionary& velocityACFDict
(
autocorrelationFunctionDict.subDict("velocity")
);
correlationFunction<vector> vacf
(
mesh,
velocityACFDict,
molecules.size()
);
bool writeVacf(Switch(velocityACFDict.lookup("writeFile")));
//- Pressure autocorrelation function
Info << tab << "pressure" << endl;
const dictionary& pressureACFDict
(
autocorrelationFunctionDict.subDict("pressure")
);
correlationFunction<vector> pacf
(
mesh,
pressureACFDict,
1
);
bool writePacf(Switch(pressureACFDict.lookup("writeFile")));
//- Heat flux autocorrelation function
Info << tab << "heat flux" << endl;
const dictionary& heatFluxACFDict
(
autocorrelationFunctionDict.subDict("heatFlux")
);
correlationFunction<vector> hfacf
(
mesh,
heatFluxACFDict,
1
);
bool writeHFacf(Switch(heatFluxACFDict.lookup("writeFile")));