From 8f5e38ac9c9930df342104e2c3e0ded602298ec5 Mon Sep 17 00:00:00 2001 From: graham Date: Wed, 17 Jun 2009 15:11:06 +0100 Subject: [PATCH] Modified copyright years, removed old molConfig. --- .../mdEquilibrationFoam/mdEquilibrationFoam.C | 2 +- .../molecularDynamics/mdFoam/mdFoam.C | 2 +- .../preProcessing/mdInitialise/mdInitialise.C | 2 +- .../mdInitialise/molConfig_old/Make/files | 8 - .../mdInitialise/molConfig_old/Make/options | 17 -- .../molConfig_old/correctVelocities.H | 21 -- .../molConfig_old/createMolecules.C | 253 ------------------ .../molConfig_old/createPositions.H | 26 -- .../molConfig_old/createVelocities.H | 13 - .../mdInitialise/molConfig_old/genMolConfig.C | 129 --------- .../molConfig_old/latticeStructures/BCC.H | 179 ------------- .../molConfig_old/latticeStructures/FCC.H | 217 --------------- .../molConfig_old/latticeStructures/SC.H | 127 --------- .../mdInitialise/molConfig_old/molConfig.C | 50 ---- .../mdInitialise/molConfig_old/molConfig.H | 147 ---------- .../mdInitialise/molConfig_old/molConfigI.H | 98 ------- .../mdInitialise/molConfig_old/origin.H | 49 ---- .../molConfig_old/readZoneSubDict.H | 93 ------- .../molConfig_old/startingPoint.H | 97 ------- .../velocityDistributions/maxwellian.H | 26 -- .../velocityDistributions/uniform.H | 27 -- .../bufferedAccumulator/bufferedAccumulator.C | 2 +- .../bufferedAccumulator/bufferedAccumulator.H | 2 +- .../bufferedAccumulatorI.H | 2 +- .../bufferedAccumulatorIO.C | 2 +- .../correlationFunction/correlationFunction.C | 2 +- .../correlationFunction/correlationFunction.H | 2 +- .../correlationFunctionI.H | 2 +- .../correlationFunctionIO.C | 2 +- .../distribution/distribution.C | 2 +- .../distribution/distribution.H | 2 +- .../distribution/distributionI.H | 2 +- .../distribution/distributionIO.C | 2 +- .../directInteractionList.C | 2 +- .../directInteractionList.H | 2 +- .../directInteractionListI.H | 2 +- .../interactionLists/interactionLists.C | 2 +- .../interactionLists/interactionLists.H | 2 +- .../interactionLists/interactionListsI.H | 2 +- .../referralLists/receivingReferralList.C | 2 +- .../referralLists/receivingReferralList.H | 2 +- .../referralLists/receivingReferralListI.H | 2 +- .../referralLists/sendingReferralList.C | 2 +- .../referralLists/sendingReferralList.H | 2 +- .../referralLists/sendingReferralListI.H | 2 +- .../referredCell/referredCell.C | 2 +- .../referredCell/referredCell.H | 2 +- .../referredCell/referredCellI.H | 2 +- .../referredCellList/referredCellList.C | 2 +- .../referredCellList/referredCellList.H | 2 +- .../referredCellList/referredCellListI.H | 2 +- .../referredMolecule/referredMolecule.C | 2 +- .../referredMolecule/referredMolecule.H | 2 +- .../referredMolecule/referredMoleculeI.H | 2 +- .../calculateAutoCorrelationFunctions.H | 2 +- .../mdTools/calculateTransportProperties.H | 2 +- .../mdTools/createAutoCorrelationFunctions.H | 2 +- .../mdTools/meanMomentumEnergyAndNMols.H | 2 +- .../molecule/mdTools/temperatureAndPressure.H | 2 +- .../mdTools/temperatureAndPressureVariables.H | 2 +- .../mdTools/temperatureEquilibration.H | 2 +- .../molecule/molecule/molecule.C | 2 +- .../molecule/molecule/molecule.H | 2 +- .../molecule/molecule/moleculeI.H | 2 +- .../molecule/molecule/moleculeIO.C | 2 +- .../molecule/moleculeCloud/moleculeCloud.C | 2 +- .../molecule/moleculeCloud/moleculeCloud.H | 2 +- .../molecule/moleculeCloud/moleculeCloudI.H | 2 +- .../molecule/reducedUnits/reducedUnits.C | 2 +- .../molecule/reducedUnits/reducedUnits.H | 2 +- .../molecule/reducedUnits/reducedUnitsI.H | 2 +- .../molecule/reducedUnits/reducedUnitsIO.C | 2 +- .../electrostaticPotential.C | 2 +- .../electrostaticPotential.H | 2 +- .../basic/energyScalingFunction.C | 2 +- .../basic/energyScalingFunction.H | 2 +- .../basic/newEnergyScalingFunction.C | 2 +- .../derived/doubleSigmoid/doubleSigmoid.C | 2 +- .../derived/doubleSigmoid/doubleSigmoid.H | 2 +- .../derived/noScaling/noScaling.C | 2 +- .../derived/noScaling/noScaling.H | 2 +- .../derived/shifted/shifted.C | 2 +- .../derived/shifted/shifted.H | 2 +- .../derived/shiftedForce/shiftedForce.C | 2 +- .../derived/shiftedForce/shiftedForce.H | 2 +- .../derived/sigmoid/sigmoid.C | 2 +- .../derived/sigmoid/sigmoid.H | 2 +- .../pairPotential/basic/newPairPotential.C | 2 +- .../pairPotential/basic/pairPotential.C | 2 +- .../pairPotential/basic/pairPotential.H | 2 +- .../pairPotential/basic/pairPotentialI.H | 2 +- .../pairPotential/basic/pairPotentialIO.C | 2 +- .../pairPotential/derived/azizChen/azizChen.C | 2 +- .../pairPotential/derived/azizChen/azizChen.H | 2 +- .../pairPotential/derived/coulomb/coulomb.C | 2 +- .../pairPotential/derived/coulomb/coulomb.H | 2 +- .../derived/dampedCoulomb/dampedCoulomb.C | 2 +- .../derived/dampedCoulomb/dampedCoulomb.H | 2 +- .../exponentialRepulsion.C | 2 +- .../exponentialRepulsion.H | 2 +- .../derived/lennardJones/lennardJones.C | 2 +- .../derived/lennardJones/lennardJones.H | 2 +- .../derived/maitlandSmith/maitlandSmith.C | 2 +- .../derived/maitlandSmith/maitlandSmith.H | 2 +- .../derived/noInteraction/noInteraction.C | 2 +- .../derived/noInteraction/noInteraction.H | 2 +- .../pairPotentialList/pairPotentialList.C | 2 +- .../pairPotentialList/pairPotentialList.H | 2 +- .../pairPotentialList/pairPotentialListI.H | 2 +- .../potential/potential/potential.C | 2 +- .../potential/potential/potential.H | 2 +- .../potential/potential/potentialI.H | 2 +- .../basic/newTetherPotential.C | 2 +- .../tetherPotential/basic/tetherPotential.C | 2 +- .../tetherPotential/basic/tetherPotential.H | 2 +- .../derived/harmonicSpring/harmonicSpring.C | 2 +- .../derived/harmonicSpring/harmonicSpring.H | 2 +- .../derived/pitchForkRing/pitchForkRing.C | 2 +- .../derived/pitchForkRing/pitchForkRing.H | 2 +- .../restrainedHarmonicSpring.C | 2 +- .../restrainedHarmonicSpring.H | 2 +- .../tetherPotentialList/tetherPotentialList.C | 2 +- .../tetherPotentialList/tetherPotentialList.H | 2 +- .../tetherPotentialListI.H | 2 +- 124 files changed, 106 insertions(+), 1683 deletions(-) delete mode 100755 applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files delete mode 100755 applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createPositions.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createVelocities.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/genMolConfig.C delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/BCC.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/FCC.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/SC.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.C delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfigI.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/origin.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/readZoneSubDict.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/startingPoint.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/maxwellian.H delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/uniform.H 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