From 8f4f43249242bb434e1f34054faa1abb400a96e8 Mon Sep 17 00:00:00 2001
From: mattijs <mattijs>
Date: Thu, 21 Jul 2011 15:38:59 +0100
Subject: [PATCH] ENH: molecularDynamics/old: removed
---
.../old/mdEquilibrationFoam/Make/files | 3 -
.../old/mdEquilibrationFoam/Make/options | 16 ---
.../mdEquilibrationFoam/mdEquilibrationFoam.C | 101 ------------------
.../readmdEquilibrationDict.H | 18 ----
4 files changed, 138 deletions(-)
delete mode 100644 applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/files
delete mode 100644 applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/options
delete mode 100644 applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/mdEquilibrationFoam.C
delete mode 100644 applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/readmdEquilibrationDict.H
diff --git a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/files b/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/files
deleted file mode 100644
index c3a050bb687..00000000000
--- a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/files
+++ /dev/null
@@ -1,3 +0,0 @@
-mdEquilibrationFoam.C
-
-EXE = $(FOAM_APPBIN)/mdEquilibrationFoam
diff --git a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/options b/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/options
deleted file mode 100644
index 14f2ed2f93a..00000000000
--- a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/Make/options
+++ /dev/null
@@ -1,16 +0,0 @@
-EXE_INC = \
- -I$(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
-
diff --git a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/mdEquilibrationFoam.C
deleted file mode 100644
index 96c07a1756b..00000000000
--- a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/mdEquilibrationFoam.C
+++ /dev/null
@@ -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;
-}
-
-
-// ************************************************************************* //
diff --git a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/readmdEquilibrationDict.H b/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/readmdEquilibrationDict.H
deleted file mode 100644
index 3f43981907d..00000000000
--- a/applications/solvers/discreteMethods/molecularDynamics/old/mdEquilibrationFoam/readmdEquilibrationDict.H
+++ /dev/null
@@ -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")
-);
--
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