diff --git a/applications/solvers/molecularDynamics/gnemdFoam/gnemdFoam.C b/applications/solvers/molecularDynamics/gnemdFoam/gnemdFoam.C old mode 100755 new mode 100644 diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/solvers/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C old mode 100755 new mode 100644 diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H b/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/Allwmake b/src/lagrangian/Allwmake index 567f7a10defa3445265239cb9018bddfeed28790..0a5e86bdefa2e0948fb0d6ad077e436ae7cc518f 100755 --- a/src/lagrangian/Allwmake +++ b/src/lagrangian/Allwmake @@ -5,4 +5,6 @@ wmake libso basic wmake libso solidParticle wmake libso intermediate wmake libso dieselSpray -wmake libso molecule +(cd molecularDynamics && wmake libso potential) +(cd molecularDynamics && wmake libso molecule) + diff --git a/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/distribution/distribution.C b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/distribution/distribution.H b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/distribution/distributionI.H b/src/lagrangian/molecularDynamics/molecule/distribution/distributionI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/distribution/distributionIO.C b/src/lagrangian/molecularDynamics/molecule/distribution/distributionIO.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/md.H b/src/lagrangian/molecularDynamics/molecule/mdTools/md.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateForce.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCodeSnippets.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCodeSnippets.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReadMDParameters.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReadMDParameters.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.C b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.H b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralListI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.C b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.H b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralListI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.C b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.H b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCell/referredCellI.H b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCellI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.C b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.H b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellListI.H b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellListI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.C b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.H b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMoleculeI.H b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMoleculeI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H old mode 100755 new mode 100644 index 32e01958c8bffe064164afee03db05202bd98b50..1a9ff953b2de7d0a896b539c01dfae45e78d0f76 --- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H +++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H @@ -36,12 +36,12 @@ inline Foam::label Foam::pairPotentialList::pairPotentialIndex if (a < b) { - index = a*(2*nIds() - a - 1) / 2 + b; + index = a*(2*nIds() - a - 1)/2 + b; } else { - index = b*(2*nIds() - b - 1) / 2 + a; + index = b*(2*nIds() - b - 1)/2 + a; } if (index > size() - 1) diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H old mode 100755 new mode 100644 diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/controlDict b/tutorials/gnemdFoam/constrictedChannel/system/controlDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/fvSchemes b/tutorials/gnemdFoam/constrictedChannel/system/fvSchemes old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/fvSolution b/tutorials/gnemdFoam/constrictedChannel/system/fvSolution old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/mdSolution b/tutorials/gnemdFoam/constrictedChannel/system/mdSolution old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict b/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/constrictedChannel/system/potentialDict b/tutorials/gnemdFoam/constrictedChannel/system/potentialDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict b/tutorials/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/controlDict b/tutorials/gnemdFoam/nanoNozzle/system/controlDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/decomposeParDict b/tutorials/gnemdFoam/nanoNozzle/system/decomposeParDict old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/fvSchemes b/tutorials/gnemdFoam/nanoNozzle/system/fvSchemes old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/fvSolution b/tutorials/gnemdFoam/nanoNozzle/system/fvSolution old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/mdSolution b/tutorials/gnemdFoam/nanoNozzle/system/mdSolution old mode 100755 new mode 100644 diff --git a/tutorials/gnemdFoam/nanoNozzle/system/molConfigDict b/tutorials/gnemdFoam/nanoNozzle/system/molConfigDict old mode 100755 new mode 100644