ENH: molecularDynamics/old: removed

applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/files

@@ -1,3 +0,0 @@
-mdEquilibrationFoam.C
-
-EXE = $(FOAM_APPBIN)/mdEquilibrationFoam

applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/options

@@ -1,16 +0,0 @@
-EXE_INC = \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecularMeasurements/lnInclude \
-    -I$(LIB_SRC)/finiteVolume/lnInclude \
-    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
-    -I$(LIB_SRC)/meshTools/lnInclude
-
-EXE_LIBS = \
-    -lmeshTools \
-    -lfiniteVolume \
-    -llagrangian \
-    -lmolecule \
-    -lpotential \
-    -lmolecularMeasurements
-

applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/mdEquilibrationFoam.C

@@ -1,101 +0,0 @@
-/*---------------------------------------------------------------------------*\
- =========                   |
- \\      /   F ield          | OpenFOAM: The Open Source CFD Toolbox
-  \\    /    O peration      |
-   \\  /     A nd            | Copyright (C) 2008-2011 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 3 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, see <http://www.gnu.org/licenses/>.
-
-Application
-    mdEquilibrationFoam
-
-Description
-    Equilibrates and/or preconditions molecular dynamics systems
-
-\*---------------------------------------------------------------------------*/
-
-#include "fvCFD.H"
-#include "md.H"
-
-int main(int argc, char *argv[])
-{
-    #include "setRootCase.H"
-    #include "createTime.H"
-    #include "createMesh.H"
-
-    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-    Info<< "\nReading field U\n" << endl;
-    volVectorField U
-    (
-        IOobject
-        (
-            "U",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
-
-    potential pot(mesh);
-
-    moleculeCloud molecules(mesh, pot);
-
-    #include "temperatureAndPressureVariables.H"
-
-    #include "readmdEquilibrationDict.H"
-
-    label nAveragingSteps = 0;
-
-    Info<< "\nStarting time loop\n" << endl;
-
-    while (runTime.loop())
-    {
-        nAveragingSteps++;
-
-        Info<< "Time = " << runTime.timeName() << endl;
-
-        molecules.evolve();
-
-        #include "meanMomentumEnergyAndNMols.H"
-
-        #include "temperatureAndPressure.H"
-
-        #include "temperatureEquilibration.H"
-
-        runTime.write();
-
-        if (runTime.outputTime())
-        {
-            nAveragingSteps = 0;
-        }
-
-        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
-            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
-            << nl << endl;
-    }
-
-    Info<< "End\n" << endl;
-
-    return 0;
-}
-
-
-// ************************************************************************* //

applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/readmdEquilibrationDict.H

@@ -1,18 +0,0 @@
-Info<< nl << "Reading MD Equilibration Dictionary" << nl << endl;
-
-IOdictionary mdEquilibrationDict
-(
-    IOobject
-    (
-        "mdEquilibrationDict",
-        runTime.system(),
-        mesh,
-        IOobject::MUST_READ_IF_MODIFIED,
-        IOobject::NO_WRITE
-    )
-);
-
-scalar targetTemperature = readScalar
-(
-    mdEquilibrationDict.lookup("targetTemperature")
-);