--- trunk/src/applications/staticProps/BondOrderParameter.cpp 2012/08/22 18:43:27 1785 +++ trunk/src/applications/staticProps/BondOrderParameter.cpp 2015/03/07 21:41:51 2071 @@ -35,7 +35,7 @@ * * [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). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * * Created by J. Daniel Gezelter on 09/26/06. @@ -53,11 +53,13 @@ namespace OpenMD { using namespace MATPACK; namespace OpenMD { - + BondOrderParameter::BondOrderParameter(SimInfo* info, const std::string& filename, const std::string& sele, - double rCut, int nbins) : StaticAnalyser(info, filename), selectionScript_(sele), evaluator_(info), seleMan_(info){ + double rCut, int nbins) + : StaticAnalyser(info, filename), selectionScript_(sele), seleMan_(info), + evaluator_(info) { setOutputName(getPrefix(filename) + ".bo"); @@ -341,7 +343,7 @@ namespace OpenMD { for (int l = 0; l <= lMax_; l++) { if (q[l] >= MinQ_ && q[l] < MaxQ_) { - int qbin = (q[l] - MinQ_) / deltaQ_; + int qbin = int((q[l] - MinQ_) / deltaQ_); Q_histogram_[std::make_pair(qbin,l)] += 1; Qcount_[l]++; } else { @@ -355,7 +357,7 @@ namespace OpenMD { for (int l = 0; l <= lMax_; l++) { if (real(what[l]) >= MinW_ && real(what[l]) < MaxW_) { - int wbin = (real(what[l]) - MinW_) / deltaW_; + int wbin = int((real(what[l]) - MinW_) / deltaW_); W_histogram_[std::make_pair(wbin,l)] += 1; Wcount_[l]++; } else {