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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 | Website: https://openfoam.org
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\\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation
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\\/ M anipulation |
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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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Description
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Molecular dynamics solver for fluid dynamics.
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\*---------------------------------------------------------------------------*/
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#include "
argList.H
"
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#include "
timeSelector.H
"
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#include "
moleculeCloud.H
"
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using namespace
Foam
;
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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int
main
(
int
argc,
char
*argv[])
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{
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#define NO_CONTROL
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#include "
postProcess.H
"
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#include "
setRootCase.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.userTimeName() <<
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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Info
<<
"ExecutionTime = "
<< runTime.elapsedCpuTime() <<
" s"
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<<
" ClockTime = "
<< runTime.elapsedClockTime() <<
" s"
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<<
nl
<<
endl
;
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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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// ************************************************************************* //
argList.H
Foam::Ostream::write
virtual Ostream & write(const char)=0
Write character.
createMesh.H
createTime.H
createFields.H
main
int main(int argc, char *argv[])
Definition:
mdFoam.C:37
meanMomentumEnergyAndNMols.H
Calculates and prints the mean momentum and energy in the system and the number of molecules.
moleculeCloud.H
Foam
Namespace for OpenFOAM.
Definition:
atmBoundaryLayer.H:214
Foam::label
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.
Definition:
label.H:59
Foam::endl
Ostream & endl(Ostream &os)
Add newline and flush stream.
Definition:
Ostream.H:257
Foam::Info
messageStream Info
Foam::nl
static const char nl
Definition:
Ostream.H:266
postProcess.H
Execute application functionObjects to post-process existing results.
setRootCase.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...
timeSelector.H
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mdFoam
mdFoam.C
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