OpenFOAM: API Guide
v2112
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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// ************************************************************************* //
runTime
engineTime & runTime
Definition:
createEngineTime.H:13
createMesh.H
Required Variables.
createTime.H
fvCFD.H
md.H
meanMomentumEnergyAndNMols.H
Calculates and prints the mean momentum and energy in the system and the number of molecules.
Foam::Info
messageStream Info
Information stream (stdout output on master, null elsewhere)
Foam::endl
Ostream & endl(Ostream &os)
Add newline and flush stream.
Definition:
Ostream.H:372
postProcess.H
Execute application functionObjects to post-process existing results.
setRootCaseLists.H
temperatureAndPressureVariables.H
Provides accumulation variables for temperatureAndPressure.H.
temperatureAndPressure.H
Accumulates values for temperature and pressure measurement, and calculates and outputs the average v...
applications
solvers
discreteMethods
molecularDynamics
mdFoam
mdFoam.C
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