--- trunk/src/applications/staticProps/GofAngle2.cpp 2012/08/22 18:43:27 1785 +++ trunk/src/applications/staticProps/GofAngle2.cpp 2012/09/10 18:38:44 1796 @@ -108,8 +108,8 @@ namespace OpenMD { RealType cosAngle2 = dot(dipole1, dipole2); RealType halfBin = (nAngleBins_ - 1) * 0.5; - int angleBin1 = halfBin * (cosAngle1 + 1.0); - int angleBin2 = halfBin * (cosAngle2 + 1.0); + int angleBin1 = int(halfBin * (cosAngle1 + 1.0)); + int angleBin2 = int(halfBin * (cosAngle2 + 1.0)); ++histogram_[angleBin1][angleBin2]; ++npairs_; @@ -123,10 +123,10 @@ namespace OpenMD { rdfStream << "selection2: (" << selectionScript2_ << ")\n"; rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n"; for (unsigned int i = 0; i < avgGofr_.size(); ++i) { - RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_; - + // RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_; + for(unsigned int j = 0; j < avgGofr_[i].size(); ++j) { - RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_; + // RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_; rdfStream <