| 181 |
|
std::vector<RealType> Q; |
| 182 |
|
std::vector<ComplexType> W; |
| 183 |
|
std::vector<ComplexType> W_hat; |
| 184 |
< |
int nBonds, Nbonds; |
| 184 |
> |
int nBonds; |
| 185 |
|
SphericalHarmonic sphericalHarmonic; |
| 186 |
|
int i; |
| 187 |
|
|
| 200 |
|
Q.resize(lMax_+1); |
| 201 |
|
W.resize(lMax_+1); |
| 202 |
|
W_hat.resize(lMax_+1); |
| 203 |
– |
Nbonds = 0; |
| 203 |
|
|
| 204 |
|
for (int istep = 0; istep < nFrames; istep += step_) { |
| 205 |
|
reader.readFrame(istep); |
| 321 |
|
|
| 322 |
|
if ( distCOM < len_){ |
| 323 |
|
// Figure out where this distance goes... |
| 324 |
< |
int whichBin = distCOM / deltaR_; |
| 324 |
> |
int whichBin = int(distCOM / deltaR_); |
| 325 |
|
RCount_[whichBin]++; |
| 326 |
|
|
| 327 |
|
if(real(what[6]) < -0.15){ |