Commit 8152f4f8 authored by graham's avatar graham
Browse files

Removing two older solvers.

parent 44eeb27b
EXE_INC = \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/meshTools/lnInclude
EXE_LIBS = \
-lmeshTools \
-lfiniteVolume \
-llagrangian \
-lmolecule \
-lpotential
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 1991-2008 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 2 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, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Application
gnemdFOAM
Description
MD for Fluid Mechanics and hybridising with a continuum solver.
\*---------------------------------------------------------------------------*/
#include "fvCFD.H"
#include "md.H"
int main(int argc, char *argv[])
{
# include "setRootCase.H"
# include "createTime.H"
# include "createMesh.H"
moleculeCloud molecules(mesh);
# include "createMDFields.H"
molecules.removeHighEnergyOverlaps();
# include "temperatureAndPressureVariables.H"
label nAveragingSteps = 0;
Info << "\nStarting time loop\n" << endl;
while (runTime.run())
{
runTime++;
nAveragingSteps++;
Info << "Time = " << runTime.timeName() << endl;
molecules.integrateEquationsOfMotion();
# include "meanMomentumEnergyAndNMols.H"
# include "temperatureAndPressure.H"
# include "calculateMDFields.H"
# include "averageMDFields.H"
runTime.write();
# include "resetMDFields.H"
if (runTime.outputTime())
{
nAveragingSteps = 0;
}
Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
<< " ClockTime = " << runTime.elapsedClockTime() << " s"
<< nl << endl;
}
Info << "End\n" << endl;
return(0);
}
mdTransportProperitesFoam.C
EXE = $(FOAM_APPBIN)/mdTransportProperitesFoam
EXE_INC = \
-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/lagrangian/basic/lnInclude \
-I$(LIB_SRC)/meshTools/lnInclude
EXE_LIBS = \
-lmeshTools \
-lfiniteVolume \
-llagrangian \
-lmolecule \
-lpotential
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 1991-2005 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 2 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, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Application
mdTransportProperitesFoam
Description
MD simulation to calculate continuum transport properites of a homogeneous
fluid at a given, stationary state. Density and temperature defined
by preprocessing, pressure measured.
\*---------------------------------------------------------------------------*/
#include "argList.H"
#include "fvCFD.H"
#include "md.H"
int main(int argc, char *argv[])
{
argList::noParallel();
# include "setRootCase.H"
# include "createTime.H"
# include "createMesh.H"
moleculeCloud molecules(mesh);
molecules.removeHighEnergyOverlaps();
# include "temperatureAndPressureVariables.H"
# include "createAutoCorrelationFunctions.H"
label nAveragingSteps = 0;
Info << "\nStarting time loop\n" << endl;
while (runTime.run())
{
runTime++;
nAveragingSteps++;
Info << "Time = " << runTime.timeName() << endl;
molecules.integrateEquationsOfMotion();
# include "meanMomentumEnergyAndNMols.H"
# include "temperatureAndPressure.H"
# include "calculateAutoCorrelationFunctions.H"
runTime.write();
if (runTime.outputTime())
{
nAveragingSteps = 0;
}
Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
<< " ClockTime = " << runTime.elapsedClockTime() << " s"
<< nl << endl;
}
# include "calculateTransportProperties.H"
Info << "End\n" << endl;
return(0);
}
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