mirror of
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synced 2025-11-28 03:28:01 +00:00
Removing two older solvers.
This commit is contained in:
graham
@ -1,3 +0,0 @@
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gnemdFoam.C
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EXE = $(FOAM_APPBIN)/gnemdFoam
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EXE_INC = \
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-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
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-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
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-I$(LIB_SRC)/finiteVolume/lnInclude \
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-I$(LIB_SRC)/lagrangian/basic/lnInclude \
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-I$(LIB_SRC)/meshTools/lnInclude
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EXE_LIBS = \
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-lmeshTools \
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-lfiniteVolume \
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-llagrangian \
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-lmolecule \
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-lpotential
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@ -1,90 +0,0 @@
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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 | Copyright (C) 1991-2008 OpenCFD Ltd.
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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 the
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Free Software Foundation; either version 2 of the License, or (at your
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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, write to the Free Software Foundation,
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Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
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Application
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gnemdFOAM
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Description
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MD for Fluid Mechanics and hybridising with a continuum solver.
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\*---------------------------------------------------------------------------*/
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#include "fvCFD.H"
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#include "md.H"
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int main(int argc, char *argv[])
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{
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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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moleculeCloud molecules(mesh);
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# include "createMDFields.H"
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molecules.removeHighEnergyOverlaps();
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# include "temperatureAndPressureVariables.H"
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label nAveragingSteps = 0;
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Info << "\nStarting time loop\n" << endl;
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while (runTime.run())
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{
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runTime++;
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nAveragingSteps++;
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Info << "Time = " << runTime.timeName() << endl;
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molecules.integrateEquationsOfMotion();
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# include "meanMomentumEnergyAndNMols.H"
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# include "temperatureAndPressure.H"
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# include "calculateMDFields.H"
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# include "averageMDFields.H"
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runTime.write();
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# include "resetMDFields.H"
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if (runTime.outputTime())
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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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@ -1,3 +0,0 @@
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mdTransportProperitesFoam.C
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EXE = $(FOAM_APPBIN)/mdTransportProperitesFoam
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@ -1,13 +0,0 @@
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EXE_INC = \
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-I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
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-I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
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-I$(LIB_SRC)/finiteVolume/lnInclude \
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-I$(LIB_SRC)/lagrangian/basic/lnInclude \
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-I$(LIB_SRC)/meshTools/lnInclude
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EXE_LIBS = \
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-lmeshTools \
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-lfiniteVolume \
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-llagrangian \
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-lmolecule \
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-lpotential
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@ -1,92 +0,0 @@
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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 | Copyright (C) 1991-2005 OpenCFD Ltd.
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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 the
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Free Software Foundation; either version 2 of the License, or (at your
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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, write to the Free Software Foundation,
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Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
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Application
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mdTransportProperitesFoam
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Description
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MD simulation to calculate continuum transport properites of a homogeneous
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fluid at a given, stationary state. Density and temperature defined
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by preprocessing, pressure measured.
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\*---------------------------------------------------------------------------*/
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#include "argList.H"
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#include "fvCFD.H"
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#include "md.H"
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int main(int argc, char *argv[])
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{
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argList::noParallel();
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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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moleculeCloud molecules(mesh);
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molecules.removeHighEnergyOverlaps();
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# include "temperatureAndPressureVariables.H"
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# include "createAutoCorrelationFunctions.H"
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label nAveragingSteps = 0;
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Info << "\nStarting time loop\n" << endl;
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while (runTime.run())
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{
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runTime++;
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nAveragingSteps++;
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Info << "Time = " << runTime.timeName() << endl;
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molecules.integrateEquationsOfMotion();
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# include "meanMomentumEnergyAndNMols.H"
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# include "temperatureAndPressure.H"
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# include "calculateAutoCorrelationFunctions.H"
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runTime.write();
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if (runTime.outputTime())
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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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# include "calculateTransportProperties.H"
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Info << "End\n" << endl;
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return(0);
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}
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