diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C index a124288dc5..ea10d9129f 100644 --- a/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C +++ b/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 1991-2009 OpenCFD Ltd. + \\ / A nd | Copyright (C) 2008-2009 OpenCFD Ltd. \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C index 287065754e..9fafafe1c9 100644 --- a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C +++ b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 1991-2009 OpenCFD Ltd. + \\ / A nd | Copyright (C) 2008-2009 OpenCFD Ltd. \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/applications/utilities/preProcessing/mdInitialise/mdInitialise.C b/applications/utilities/preProcessing/mdInitialise/mdInitialise.C index 2f06531e33..ecd0221957 100644 --- a/applications/utilities/preProcessing/mdInitialise/mdInitialise.C +++ b/applications/utilities/preProcessing/mdInitialise/mdInitialise.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 1991-2009 OpenCFD Ltd. + \\ / A nd | Copyright (C) 2008-2009 OpenCFD Ltd. \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files b/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files deleted file mode 100755 index 6501e68426..0000000000 --- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files +++ /dev/null @@ -1,8 +0,0 @@ -latticeStructures = latticeStructures -velocityDistributions = velocityDistributions - -createMolecules.C -molConfig.C -genMolConfig.C - -EXE = $(FOAM_APPBIN)/molConfig diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options b/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options deleted file mode 100755 index aab9a2ca4f..0000000000 --- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options +++ /dev/null @@ -1,17 +0,0 @@ -EXE_INC = \ - -I$(latticeStructures) \ - -I$(velocityDistributions) \ - -I$(LIB_SRC)/meshTools/lnInclude \ - -I$(LIB_SRC)/dynamicMesh/lnInclude \ - -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \ - -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \ - -I$(LIB_SRC)/lagrangian/basic/lnInclude \ - -I$(LIB_SRC)/finiteVolume/lnInclude - -EXE_LIBS = \ - -lmeshTools \ - -ldynamicMesh \ - -lfiniteVolume \ - -llagrangian \ - -lmolecule \ - -lpotential diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H deleted file mode 100644 index 0c69f15c7c..0000000000 --- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H +++ /dev/null @@ -1,21 +0,0 @@ -for (molN = totalMols; molN < totalMols + totalZoneMols; molN++) -{ - - // Remove bulk momentum introduced by random numbers and add - // desired bulk velocity - - // For systems with molecules of significantly differing masses, this may - // need to be an iterative process or employ a better algorithm for - // removing an appropriate share of the excess momentum from each molecule. - - initialVelocities(molN) += bulkVelocity - momentumSum/totalZoneMols/mass; -} - -// momentumSum = vector::zero; -// -// for (molN = totalMols; molN < totalMols + totalZoneMols; molN++) -// { -// momentumSum += mass*initialVelocities(molN); -// } -// -// Info << "Check momentum adjustment: " << momentumSum << endl; diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C b/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C deleted file mode 100644 index dbb0f680ce..0000000000 --- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C +++ /dev/null @@ -1,253 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | - \\ / A nd | Copyright (C) 1991-2009 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 - -\*----------------------------------------------------------------------------*/ - -#include "molConfig.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -void Foam::molConfig::createMolecules() -{ - Info<< nl << "Creating molecules from zone specifications\n" << endl; - - DynamicList initialPositions(0); - - DynamicList