--- trunk/src/applications/staticProps/GofRAngle.cpp 2012/08/22 02:28:28 1782 +++ trunk/src/applications/staticProps/GofRAngle.cpp 2012/09/10 18:38:44 1796 @@ -68,7 +68,7 @@ namespace OpenMD { } } - void GofRAngle::initalizeHistogram() { + void GofRAngle::initializeHistogram() { npairs_ = 0; for (unsigned int i = 0; i < histogram_.size(); ++i){ std::fill(histogram_[i].begin(), histogram_[i].end(), 0); @@ -107,13 +107,13 @@ namespace OpenMD { currentSnapshot_->wrapVector(r12); RealType distance = r12.length(); - int whichRBin = distance / deltaR_; + int whichRBin = int(distance / deltaR_); if (distance <= len_) { RealType cosAngle = evaluateAngle(sd1, sd2); RealType halfBin = (nAngleBins_ - 1) * 0.5; - int whichThetaBin = halfBin * (cosAngle + 1.0); + int whichThetaBin = int(halfBin * (cosAngle + 1.0)); ++histogram_[whichRBin][whichThetaBin]; ++npairs_; @@ -129,10 +129,10 @@ namespace OpenMD { rdfStream << "#nRBins = " << nRBins_ << "\t maxLen = " << len_ << "deltaR = " << deltaR_ <<"\n"; rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n"; for (unsigned int i = 0; i < avgGofr_.size(); ++i) { - RealType r = deltaR_ * (i + 0.5); + // RealType r = deltaR_ * (i + 0.5); for(unsigned int j = 0; j < avgGofr_[i].size(); ++j) { - RealType cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; + // RealType cosAngle = -1.0 + (j + 0.5)*deltaCosAngle_; rdfStream << avgGofr_[i][j]/nProcessed_ << "\t"; }