--- trunk/src/applications/staticProps/Hxy.cpp 2009/11/25 20:02:06 1390 +++ trunk/src/applications/staticProps/Hxy.cpp 2012/08/22 02:28:28 1782 @@ -36,12 +36,12 @@ * [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 Xiuquan Sun on 05/09/06. * @author Xiuquan Sun - * @version $Id: Hxy.cpp,v 1.8 2009-11-25 20:01:59 gezelter Exp $ + * @version $Id$ * */ @@ -100,9 +100,9 @@ namespace OpenMD { errbin_sum_sq.clear(); errbin_sq.clear(); - for(int i=0; i < bin.size(); i++) + for(unsigned int i=0; i < bin.size(); i++) bin[i].clear(); - for(int i=0; i < samples.size(); i++) + for(unsigned int i=0; i < samples.size(); i++) samples[i].clear(); mag.clear(); @@ -115,9 +115,9 @@ namespace OpenMD { int nFrames = reader.getNFrames(); nProcessed_ = nFrames/step_; - for(int k=0; k < bin.size(); k++) + for(unsigned int k=0; k < bin.size(); k++) bin[k].resize(nFrames); - for(int k=0; k < samples.size(); k++) + for(unsigned int k=0; k < samples.size(); k++) samples[k].resize(nFrames); RealType lenX_, lenY_; @@ -145,10 +145,10 @@ namespace OpenMD { std::fill(errbin_sum_sq.begin(), errbin_sum_sq.end(), 0.0); std::fill(errbin_sq.begin(), errbin_sq.end(), 0.0); - for(int i=0; i < bin.size(); i++) + for(unsigned int i=0; i < bin.size(); i++) std::fill(bin[i].begin(), bin[i].end(), 0.0); - for(int i=0; i < samples.size(); i++) + for(unsigned int i=0; i < samples.size(); i++) std::fill(samples[i].begin(), samples[i].end(), 0); for (int istep = 0; istep < nFrames; istep += step_) {