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){ |