diff --git a/applications/legacy/lagrangian/mdEquilibrationFoam/Make/options b/applications/legacy/lagrangian/mdEquilibrationFoam/Make/options index 91cab4609b..e5918ba9ef 100644 --- a/applications/legacy/lagrangian/mdEquilibrationFoam/Make/options +++ b/applications/legacy/lagrangian/mdEquilibrationFoam/Make/options @@ -1,15 +1,11 @@ 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)/meshTools/lnInclude \ -I$(LIB_SRC)/finiteVolume/lnInclude \ -I$(LIB_SRC)/lagrangian/basic/lnInclude \ - -I$(LIB_SRC)/meshTools/lnInclude + -I$(LIB_SRC)/lagrangian/molecularDynamics/lnInclude EXE_LIBS = \ -lmeshTools \ -lfiniteVolume \ -llagrangian \ - -lmolecule \ - -lpotential \ - -lmolecularMeasurements + -lmolecularDynamics diff --git a/applications/legacy/lagrangian/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/legacy/lagrangian/mdEquilibrationFoam/mdEquilibrationFoam.C index fcc96a6561..fb7188c5bb 100644 --- a/applications/legacy/lagrangian/mdEquilibrationFoam/mdEquilibrationFoam.C +++ b/applications/legacy/lagrangian/mdEquilibrationFoam/mdEquilibrationFoam.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -30,7 +30,7 @@ Description \*---------------------------------------------------------------------------*/ #include "argList.H" -#include "md.H" +#include "moleculeCloud.H" using namespace Foam; diff --git a/applications/legacy/lagrangian/mdFoam/Make/options b/applications/legacy/lagrangian/mdFoam/Make/options index 91cab4609b..e5918ba9ef 100644 --- a/applications/legacy/lagrangian/mdFoam/Make/options +++ b/applications/legacy/lagrangian/mdFoam/Make/options @@ -1,15 +1,11 @@ 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)/meshTools/lnInclude \ -I$(LIB_SRC)/finiteVolume/lnInclude \ -I$(LIB_SRC)/lagrangian/basic/lnInclude \ - -I$(LIB_SRC)/meshTools/lnInclude + -I$(LIB_SRC)/lagrangian/molecularDynamics/lnInclude EXE_LIBS = \ -lmeshTools \ -lfiniteVolume \ -llagrangian \ - -lmolecule \ - -lpotential \ - -lmolecularMeasurements + -lmolecularDynamics diff --git a/applications/legacy/lagrangian/mdFoam/mdFoam.C b/applications/legacy/lagrangian/mdFoam/mdFoam.C index e4e1bccd72..56b4b16894 100644 --- a/applications/legacy/lagrangian/mdFoam/mdFoam.C +++ b/applications/legacy/lagrangian/mdFoam/mdFoam.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -31,7 +31,7 @@ Description #include "argList.H" #include "timeSelector.H" -#include "md.H" +#include "moleculeCloud.H" using namespace Foam; diff --git a/applications/utilities/preProcessing/mdInitialise/Make/options b/applications/utilities/preProcessing/mdInitialise/Make/options index f153d0d1d2..a42a7b82ee 100644 --- a/applications/utilities/preProcessing/mdInitialise/Make/options +++ b/applications/utilities/preProcessing/mdInitialise/Make/options @@ -1,18 +1,13 @@ EXE_INC = \ -I$(LIB_SRC)/meshTools/lnInclude \ -I$(LIB_SRC)/polyTopoChange/lnInclude \ - -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)/finiteVolume/lnInclude + -I$(LIB_SRC)/lagrangian/molecularDynamics/lnInclude EXE_LIBS = \ -lmeshTools \ -lpolyTopoChange \ -lfiniteVolume \ -llagrangian \ - -lmolecule \ - -lpotential \ - -lmolecularMeasurements - + -lmolecularDynamics diff --git a/applications/utilities/preProcessing/mdInitialise/mdInitialise.C b/applications/utilities/preProcessing/mdInitialise/mdInitialise.C index 2de2c965a3..3a7cea81d9 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 | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2023 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -27,7 +27,7 @@ Description \*---------------------------------------------------------------------------*/ #include "argList.H" -#include "md.H" +#include "moleculeCloud.H" using namespace Foam; diff --git a/src/lagrangian/Allwmake b/src/lagrangian/Allwmake index 5d3cf2d058..7e265c6b91 100755 --- a/src/lagrangian/Allwmake +++ b/src/lagrangian/Allwmake @@ -8,9 +8,7 @@ wmake $targetType basic wmake $targetType solidParticle wmake $targetType parcel wmake $targetType DSMC - -molecularDynamics/Allwmake $targetType $* - +wmake $targetType molecularDynamics wmake $targetType functionObjects #------------------------------------------------------------------------------ diff --git a/src/lagrangian/molecularDynamics/Allwmake b/src/lagrangian/molecularDynamics/Allwmake deleted file mode 100755 index c1221b264c..0000000000 --- a/src/lagrangian/molecularDynamics/Allwmake +++ /dev/null @@ -1,11 +0,0 @@ -#!/bin/sh -cd ${0%/*} || exit 1 # Run from this directory - -# Parse arguments for library compilation -. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments - -wmake $targetType potential -wmake $targetType molecularMeasurements -wmake $targetType molecule - -#------------------------------------------------------------------------------ diff --git a/src/lagrangian/molecularDynamics/Make/files b/src/lagrangian/molecularDynamics/Make/files new file mode 100644 index 0000000000..7efc6b7119 --- /dev/null +++ b/src/lagrangian/molecularDynamics/Make/files @@ -0,0 +1,45 @@ +reducedUnits/reducedUnits.C +reducedUnits/reducedUnitsIO.C + +molecule/molecule.C +molecule/moleculeIO.C + +moleculeCloud/moleculeCloud.C + +potential/potential/potential.C + +potential/pairPotential/pairPotentialList/pairPotentialList.C + +potential/pairPotential/basic/pairPotential.C +potential/pairPotential/basic/pairPotentialIO.C +potential/pairPotential/basic/pairPotentialNew.C + +potential/pairPotential/derived/lennardJones/lennardJones.C +potential/pairPotential/derived/maitlandSmith/maitlandSmith.C +potential/pairPotential/derived/azizChen/azizChen.C +potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C +potential/pairPotential/derived/coulomb/coulomb.C +potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C +potential/pairPotential/derived/noInteraction/noInteraction.C + +potential/energyScalingFunction/basic/energyScalingFunction.C +potential/energyScalingFunction/basic/energyScalingFunctionNew.C + +potential/energyScalingFunction/derived/shifted/shifted.C +potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C +potential/energyScalingFunction/derived/noScaling/noScaling.C +potential/energyScalingFunction/derived/sigmoid/sigmoid.C +potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C + +potential/tetherPotential/tetherPotentialList/tetherPotentialList.C + +potential/tetherPotential/basic/tetherPotential.C +potential/tetherPotential/basic/tetherPotentialNew.C + +potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C +potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C +potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C + +potential/electrostaticPotential/electrostaticPotential.C + +LIB = $(FOAM_LIBBIN)/libmolecularDynamics diff --git a/src/lagrangian/molecularDynamics/Make/options b/src/lagrangian/molecularDynamics/Make/options new file mode 100644 index 0000000000..7a728f9dd7 --- /dev/null +++ b/src/lagrangian/molecularDynamics/Make/options @@ -0,0 +1,9 @@ +EXE_INC = \ + -I$(LIB_SRC)/finiteVolume/lnInclude \ + -I$(LIB_SRC)/meshTools/lnInclude \ + -I$(LIB_SRC)/lagrangian/basic/lnInclude + +LIB_LIBS = \ + -lfiniteVolume \ + -lmeshTools \ + -llagrangian diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.C similarity index 98% rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C rename to src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.C index e4ee4ef2d6..ad3b7afb54 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C +++ b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.H similarity index 98% rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H rename to src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.H index 4b0df7f98d..f03f396510 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H +++ b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulator.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorI.H similarity index 97% rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H rename to src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorI.H index 6361e4c186..2600b39207 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H +++ b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorIO.C similarity index 96% rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C rename to src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorIO.C index 391df848e5..d9b34bfe8c 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C +++ b/src/lagrangian/molecularDynamics/bufferedAccumulator/bufferedAccumulatorIO.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.C similarity index 98% rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C rename to src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.C index 1507904e5b..ad83fc2a1c 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C +++ b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.H similarity index 98% rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H rename to src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.H index 6e8550194d..a26edee454 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H +++ b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunction.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2020 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionI.H similarity index 96% rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H rename to src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionI.H index 46d19cb1a9..b678698d62 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H +++ b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionI.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionIO.C similarity index 97% rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C rename to src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionIO.C index d6fdf49ccb..1faebbce34 100644 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C +++ b/src/lagrangian/molecularDynamics/correlationFunction/correlationFunctionIO.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/mdTools/averageMDFields.H similarity index 100% rename from src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H rename to src/lagrangian/molecularDynamics/mdTools/averageMDFields.H diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/mdTools/calculateAutoCorrelationFunctions.H similarity index 97% rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H rename to src/lagrangian/molecularDynamics/mdTools/calculateAutoCorrelationFunctions.H index 5c6250f7b3..201566cf6c 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H +++ b/src/lagrangian/molecularDynamics/mdTools/calculateAutoCorrelationFunctions.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H b/src/lagrangian/molecularDynamics/mdTools/calculateMDFields.H similarity index 100% rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H rename to src/lagrangian/molecularDynamics/mdTools/calculateMDFields.H diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/mdTools/calculateTransportProperties.H similarity index 97% rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H rename to src/lagrangian/molecularDynamics/mdTools/calculateTransportProperties.H index cf9dcb59fc..dc67f5c363 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H +++ b/src/lagrangian/molecularDynamics/mdTools/calculateTransportProperties.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H similarity index 97% rename from src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H rename to src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H index 59cf32fc6e..8ff57ad8f9 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H +++ b/src/lagrangian/molecularDynamics/mdTools/createAutoCorrelationFunctions.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H b/src/lagrangian/molecularDynamics/mdTools/createMDFields.H similarity index 100% rename from src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H rename to src/lagrangian/molecularDynamics/mdTools/createMDFields.H diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H b/src/lagrangian/molecularDynamics/mdTools/createRefUnits.H similarity index 100% rename from src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H rename to src/lagrangian/molecularDynamics/mdTools/createRefUnits.H diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/mdTools/meanMomentumEnergyAndNMols.H similarity index 98% rename from src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H rename to src/lagrangian/molecularDynamics/mdTools/meanMomentumEnergyAndNMols.H index 83296bb9f9..dc67e5f72c 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H +++ b/src/lagrangian/molecularDynamics/mdTools/meanMomentumEnergyAndNMols.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/mdTools/resetMDFields.H similarity index 100% rename from src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H rename to src/lagrangian/molecularDynamics/mdTools/resetMDFields.H diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/mdTools/temperatureAndPressure.H similarity index 98% rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H rename to src/lagrangian/molecularDynamics/mdTools/temperatureAndPressure.H index 7840f0a162..cdfdb8aeb0 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H +++ b/src/lagrangian/molecularDynamics/mdTools/temperatureAndPressure.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2022 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/mdTools/temperatureAndPressureVariables.H similarity index 96% rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H rename to src/lagrangian/molecularDynamics/mdTools/temperatureAndPressureVariables.H index 2907df247b..3b7ed6d642 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H +++ b/src/lagrangian/molecularDynamics/mdTools/temperatureAndPressureVariables.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2022 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/mdTools/temperatureEquilibration.H similarity index 95% rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H rename to src/lagrangian/molecularDynamics/mdTools/temperatureEquilibration.H index 444d4ada50..6f32341f95 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H +++ b/src/lagrangian/molecularDynamics/mdTools/temperatureEquilibration.H @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2011-2024 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/Make/files b/src/lagrangian/molecularDynamics/molecularMeasurements/Make/files deleted file mode 100644 index 8450dc8360..0000000000 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/Make/files +++ /dev/null @@ -1,3 +0,0 @@ -distribution/distribution.C - -LIB = $(FOAM_LIBBIN)/libmolecularMeasurements diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/Make/options b/src/lagrangian/molecularDynamics/molecularMeasurements/Make/options deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C deleted file mode 100644 index 47f3e077ef..0000000000 --- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C +++ /dev/null @@ -1,478 +0,0 @@ -/*---------------------------------------------------------------------------*\ - ========= | - \\ / F ield | OpenFOAM: The Open Source CFD Toolbox - \\ / O peration | Website: https://openfoam.org - \\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation - \\/ 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 . - -\*---------------------------------------------------------------------------*/ - -#include "distribution.H" -#include "OFstream.H" - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -namespace Foam -{ - defineTypeNameAndDebug(distribution, 0); -} - -// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * // - -void Foam::distribution::write -( - const fileName& file, - const List>& pairs -) -{ - OFstream os(file); - - forAll(pairs, i) - { - os << pairs[i].first() << ' ' << pairs[i].second() << nl; - } -} - - -// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * // - -Foam::distribution::distribution() -: - Map