--- trunk/src/applications/staticProps/pAngle.cpp 2010/05/10 17:28:26 1442 +++ trunk/src/applications/staticProps/pAngle.cpp 2010/11/19 20:26:36 1522 @@ -100,9 +100,11 @@ namespace OpenMD { seleMan_.setSelectionSet(evaluator_.evaluate()); } + + int runningTot = 0; for (sd = seleMan_.beginSelected(i); sd != NULL; sd = seleMan_.nextSelected(i)) { - + Vector3d pos = sd->getPos(); Vector3d r1 = CenterOfMass - pos; @@ -134,7 +136,7 @@ namespace OpenMD { atot += count_[i]; for(int i = 0; i < count_.size(); ++i) { - histogram_[i] = double(count_[i] / atot); + histogram_[i] = double(count_[i]) / double(atot); } } @@ -147,9 +149,10 @@ namespace OpenMD { rdfStream << "#nFrames:\t" << nProcessed_ << "\n"; rdfStream << "#selection: (" << selectionScript_ << ")\n"; rdfStream << "#cos(theta)\tp(cos(theta))\n"; + RealType dct = 2.0 / histogram_.size(); for (int i = 0; i < histogram_.size(); ++i) { - RealType ct = -1.0 + i / histogram_.size(); - rdfStream << ct << "\t" << histogram_[i] << "\n"; + RealType ct = -1.0 + (2.0 * i + 1) / (histogram_.size()); + rdfStream << ct << "\t" << histogram_[i]/dct << "\n"; } } else {