| 102 | 
  | 
    dipole2.normalize();     | 
| 103 | 
  | 
     | 
| 104 | 
  | 
 | 
| 105 | 
< | 
    double cosAngle1 = dot(r12, dipole1); | 
| 106 | 
< | 
    double cosAngle2 = dot(dipole1, dipole2); | 
| 105 | 
> | 
    RealType cosAngle1 = dot(r12, dipole1); | 
| 106 | 
> | 
    RealType cosAngle2 = dot(dipole1, dipole2); | 
| 107 | 
  | 
 | 
| 108 | 
< | 
    double halfBin = (nAngleBins_ - 1) * 0.5; | 
| 108 | 
> | 
    RealType halfBin = (nAngleBins_ - 1) * 0.5; | 
| 109 | 
  | 
    int angleBin1 = halfBin * (cosAngle1 + 1.0); | 
| 110 | 
  | 
    int angleBin2 = halfBin * (cosAngle1 + 1.0); | 
| 111 | 
  | 
 | 
| 121 | 
  | 
      rdfStream << "selection2: (" << selectionScript2_ << ")\n"; | 
| 122 | 
  | 
      rdfStream << "#nAngleBins =" << nAngleBins_ << "deltaCosAngle = " << deltaCosAngle_ << "\n"; | 
| 123 | 
  | 
      for (int i = 0; i < avgGofr_.size(); ++i) { | 
| 124 | 
< | 
        double cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_; | 
| 124 | 
> | 
        RealType cosAngle1 = -1.0 + (i + 0.5)*deltaCosAngle_; | 
| 125 | 
  | 
 | 
| 126 | 
  | 
        for(int j = 0; j < avgGofr_[i].size(); ++j) { | 
| 127 | 
< | 
          double cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_; | 
| 127 | 
> | 
          RealType cosAngle2 = -1.0 + (j + 0.5)*deltaCosAngle_; | 
| 128 | 
  | 
          rdfStream <<avgGofr_[i][j]/nProcessed_ << "\t"; | 
| 129 | 
  | 
        } | 
| 130 | 
  | 
 |