| 126 |
|
//loop over the slices to calculate the densities |
| 127 |
|
for (i = 0; i < nZBins_; i++) { |
| 128 |
|
RealType totalMass = 0; |
| 129 |
< |
for (int k = 0; k < sliceSDLists_[i].size(); ++k) { |
| 129 |
> |
for (unsigned int k = 0; k < sliceSDLists_[i].size(); ++k) { |
| 130 |
|
totalMass += sliceSDLists_[i][k]->getMass(); |
| 131 |
|
} |
| 132 |
|
density_[i] += totalMass/sliceVolume; |
| 155 |
|
rdfStream << "#nFrames:\t" << nProcessed_ << "\n"; |
| 156 |
|
rdfStream << "#selection: (" << selectionScript_ << ")\n"; |
| 157 |
|
rdfStream << "#z\tdensity\n"; |
| 158 |
< |
for (int i = 0; i < density_.size(); ++i) { |
| 158 |
> |
for (unsigned int i = 0; i < density_.size(); ++i) { |
| 159 |
|
RealType z = zAve * (i+0.5)/density_.size(); |
| 160 |
|
rdfStream << z << "\t" << 1.660535*density_[i]/nProcessed_ << "\n"; |
| 161 |
|
} |