--- trunk/src/applications/staticProps/RNEMDStats.cpp 2013/06/18 16:10:07 1882 +++ trunk/src/applications/staticProps/RNEMDStats.cpp 2013/06/18 16:16:40 1883 @@ -96,8 +96,8 @@ namespace OpenMD { vector binMass(nBins_, 0.0); vector binVel(nBins_, V3Zero); vector binKE(nBins_, 0.0); - vector binDof(nBins_, 0); - vector binCount(nBins_, 0); + vector binDof(nBins_, 0); + vector binCount(nBins_, 0); for (mol = info_->beginMolecule(mi); mol != NULL; @@ -122,14 +122,14 @@ namespace OpenMD { // figure out where that object is: Vector3d pos = sd->getPos(); - currentSnapshot_->wrapVector(pos); + Vector3d vel = sd->getVel(); + RealType m = sd->getMass(); + currentSnapshot_->wrapVector(pos); int bin = getBin(pos); - binCount[bin]++; + binCount[bin] += 1; - RealType m = sd->getMass(); binMass[bin] += m; - Vector3d vel = sd->getVel(); binVel[bin] += vel; binKE[bin] += 0.5 * (m * vel.lengthSquare()); binDof[bin] += 3; @@ -153,7 +153,7 @@ namespace OpenMD { } } - for (int i = 0; i < nBins_; i++) { + for (unsigned int i = 0; i < nBins_; i++) { if (binDof[i] > 0) { RealType temp = 2.0 * binKE[i] / (binDof[i] * PhysicalConstants::kb * PhysicalConstants::energyConvert);