Download data/src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H from introvoyz042/OpenFOAM-dev: direct link, hf CLI and curl.
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https://huggingface.co/datasets/introvoyz042/OpenFOAM-dev/resolve/main/data/src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H
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curl -L -o createAutoCorrelationFunctions.H https://huggingface.co/datasets/introvoyz042/OpenFOAM-dev/resolve/main/data/src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H
2.54 kB
| /*---------------------------------------------------------------------------*\ | |
| ========= | | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | |
| \\ / O peration | Website: https://openfoam.org | |
| \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation | |
| \\/ 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 mdTransportPropertiesDict | |
| ( | |
| IOobject | |
| ( | |
| "mdTransportPropertiesDict", | |
| mesh.time().system(), | |
| mesh, | |
| IOobject::MUST_READ_IF_MODIFIED, | |
| IOobject::NO_WRITE, | |
| false | |
| ) | |
| ); | |
| const dictionary& autocorrelationFunctionDict | |
| ( | |
| mdTransportPropertiesDict.subDict("autocorrelationFunctions") | |
| ); | |
| //- Velocity autocorrelation function | |
| Info << tab << "velocity" << 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"))); | |