diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C index 5f49f206d8b4f1d0d90d6bbffc9faf1e94c63b66..3285a68eb7d36bc398b7e57b493e77e56c6f7478 100644 --- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C +++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C @@ -234,8 +234,7 @@ void Foam::referredCellList::buildReferredCellList OPstream toNeighbProc ( Pstream::blocking, - patch.neighbProcNo(), - + 2*(sizeof(label) + patch.size()*sizeof(vector)) + patch.neighbProcNo() ); toNeighbProc << patch.faceCentres() << patch.faceAreas(); @@ -261,8 +260,7 @@ void Foam::referredCellList::buildReferredCellList IPstream fromNeighbProc ( Pstream::blocking, - patch.neighbProcNo(), - 2*(sizeof(label) + patch.size()*sizeof(vector)) + patch.neighbProcNo() ); fromNeighbProc >> neighbFaceCentres >> neighbFaceAreas; diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H index 8266c78c25fcc95e3c638533d753f4ac2c9e0073..6429eb5698fe70cb54a687a0bfcb0284fa4a0000 100644 --- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H +++ b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H @@ -48,7 +48,7 @@ scalar singleStepTotalPE = 0.0; scalar singleStepTotalrDotf = 0.0; -vector singleStepCentreOfMass(vector::zero); +//vector singleStepCentreOfMass(vector::zero); label singleStepNMols = molecules.size(); @@ -68,13 +68,13 @@ label singleStepNMols = molecules.size(); singleStepTotalMass += molMass; - singleStepCentreOfMass += mol().position()*molMass; + //singleStepCentreOfMass += mol().position()*molMass; } - if(singleStepNMols) - { - singleStepCentreOfMass /= singleStepTotalMass; - } + // if(singleStepNMols) + // { + // singleStepCentreOfMass /= singleStepTotalMass; + // } for ( @@ -97,8 +97,8 @@ label singleStepNMols = molecules.size(); singleStepTotalLinearMomentum += molV * molMass; - singleStepTotalAngularMomentum += molPiGlobal - +((mol().position() - singleStepCentreOfMass) ^ (molV * molMass)); + singleStepTotalAngularMomentum += molPiGlobal; + //+((mol().position() - singleStepCentreOfMass) ^ (molV * molMass)); if(mag(molV) > singleStepMaxVelocityMag) {