113 |
|
RealType cosangle = dot(r1, dipole); |
114 |
|
|
115 |
|
if (distance < len_) { |
116 |
< |
int whichBin = distance / deltaR_; |
116 |
> |
int whichBin = int(distance / deltaR_); |
117 |
|
histogram_[whichBin] += cosangle; |
118 |
|
count_[whichBin] += 1; |
119 |
|
} |
131 |
|
|
132 |
|
void AngleR::processHistogram() { |
133 |
|
|
134 |
< |
for(int i = 0 ; i < histogram_.size(); ++i){ |
134 |
> |
for(unsigned int i = 0 ; i < histogram_.size(); ++i){ |
135 |
|
|
136 |
|
if (count_[i] > 0) |
137 |
|
avgAngleR_[i] += histogram_[i] / count_[i]; |
150 |
|
if (rdfStream.is_open()) { |
151 |
|
rdfStream << "#radial density function Angle(r)\n"; |
152 |
|
rdfStream << "#r\tcorrValue\n"; |
153 |
< |
for (int i = 0; i < avgAngleR_.size(); ++i) { |
153 |
> |
for (unsigned int i = 0; i < avgAngleR_.size(); ++i) { |
154 |
|
RealType r = deltaR_ * (i + 0.5); |
155 |
|
rdfStream << r << "\t" << avgAngleR_[i] << "\n"; |
156 |
|
} |