--- trunk/src/applications/staticProps/RhoZ.cpp 2012/08/21 13:51:14 1781 +++ trunk/src/applications/staticProps/RhoZ.cpp 2012/08/22 02:28:28 1782 @@ -36,8 +36,8 @@ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). - * [4] Vardeman & Gezelter, in progress (2009). - * + * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). + * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * Created by Charles F. Vardeman II on 11/26/05. * @author Charles F. Vardeman II * @version $Id$ @@ -126,7 +126,7 @@ namespace OpenMD { //loop over the slices to calculate the densities for (i = 0; i < nZBins_; i++) { RealType totalMass = 0; - for (int k = 0; k < sliceSDLists_[i].size(); ++k) { + for (unsigned int k = 0; k < sliceSDLists_[i].size(); ++k) { totalMass += sliceSDLists_[i][k]->getMass(); } density_[i] += totalMass/sliceVolume; @@ -155,7 +155,7 @@ namespace OpenMD { rdfStream << "#nFrames:\t" << nProcessed_ << "\n"; rdfStream << "#selection: (" << selectionScript_ << ")\n"; rdfStream << "#z\tdensity\n"; - for (int i = 0; i < density_.size(); ++i) { + for (unsigned int i = 0; i < density_.size(); ++i) { RealType z = zAve * (i+0.5)/density_.size(); rdfStream << z << "\t" << 1.660535*density_[i]/nProcessed_ << "\n"; }