OpenFOAM
v2312
The open source CFD toolbox
mdFoam.C
Go to the documentation of this file.
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd |
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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Copyright (C) 2011-2016 OpenFOAM Foundation
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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Application
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mdFoam
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Group
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grpDiscreteMethodsSolvers
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Description
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Molecular dynamics solver for fluid dynamics.
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\*---------------------------------------------------------------------------*/
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#include "
fvCFD.H
"
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#include "
md.H
"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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int
main(
int
argc,
char
*argv[])
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{
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argList::addNote
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(
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"Molecular dynamics solver for fluid dynamics."
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);
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#define NO_CONTROL
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#include "
postProcess.H
"
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#include "
setRootCaseLists.H
"
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#include "
createTime.H
"
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#include "
createMesh.H
"
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#include "createFields.H"
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#include "
temperatureAndPressureVariables.H
"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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label nAveragingSteps = 0;
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Info
<<
"\nStarting time loop\n"
<<
endl
;
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while
(
runTime
.loop())
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{
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nAveragingSteps++;
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Info
<<
"Time = "
<<
runTime
.timeName() <<
endl
;
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molecules.evolve();
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#include "
meanMomentumEnergyAndNMols.H
"
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#include "
temperatureAndPressure.H
"
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runTime
.write();
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if
(
runTime
.writeTime())
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{
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nAveragingSteps = 0;
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}
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runTime
.printExecutionTime(
Info
);
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}
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Info
<<
"End\n"
<<
endl
;
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return
0;
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}
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// ************************************************************************* //
fvCFD.H
temperatureAndPressure.H
Accumulates values for temperature and pressure measurement, and calculates and outputs the average v...
setRootCaseLists.H
runTime
engineTime & runTime
Definition:
createEngineTime.H:13
Foam::endl
Ostream & endl(Ostream &os)
Add newline and flush stream.
Definition:
Ostream.H:531
temperatureAndPressureVariables.H
Provides accumulation variables for temperatureAndPressure.H.
meanMomentumEnergyAndNMols.H
Calculates and prints the mean momentum and energy in the system and the number of molecules...
createTime.H
md.H
createMesh.H
Required Classes.
Foam::Info
messageStream Info
Information stream (stdout output on master, null elsewhere)
postProcess.H
Execute application functionObjects to post-process existing results.
applications
solvers
discreteMethods
molecularDynamics
mdFoam
mdFoam.C
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