| 135 |
|
m2Max.clear(); |
| 136 |
|
} |
| 137 |
|
|
| 138 |
< |
void BondOrderParameter::initalizeHistogram() { |
| 138 |
> |
void BondOrderParameter::initializeHistogram() { |
| 139 |
|
for (int bin = 0; bin < nBins_; bin++) { |
| 140 |
|
for (int l = 0; l <= lMax_; l++) { |
| 141 |
|
Q_histogram_[std::make_pair(bin,l)] = 0; |
| 157 |
|
RealType costheta; |
| 158 |
|
RealType phi; |
| 159 |
|
RealType r; |
| 160 |
– |
RealType dist; |
| 160 |
|
std::map<std::pair<int,int>,ComplexType> q; |
| 161 |
|
std::vector<RealType> q_l; |
| 162 |
|
std::vector<RealType> q2; |
| 169 |
|
std::vector<ComplexType> W_hat; |
| 170 |
|
int nBonds, Nbonds; |
| 171 |
|
SphericalHarmonic sphericalHarmonic; |
| 172 |
< |
int i, j; |
| 172 |
> |
int i; |
| 173 |
|
|
| 174 |
|
DumpReader reader(info_, dumpFilename_); |
| 175 |
|
int nFrames = reader.getNFrames(); |
| 283 |
|
} |
| 284 |
|
} |
| 285 |
|
|
| 286 |
< |
w_hat[l] = w[l] / pow(q2[l], 1.5); |
| 286 |
> |
w_hat[l] = w[l] / pow(q2[l], RealType(1.5)); |
| 287 |
|
} |
| 288 |
|
|
| 289 |
|
collectHistogram(q_l, w_hat); |
| 328 |
|
} |
| 329 |
|
} |
| 330 |
|
|
| 331 |
< |
W_hat[l] = W[l] / pow(Q2[l], 1.5); |
| 331 |
> |
W_hat[l] = W[l] / pow(Q2[l], RealType(1.5)); |
| 332 |
|
} |
| 333 |
|
|
| 334 |
|
writeOrderParameter(Q, W_hat); |
| 339 |
|
|
| 340 |
|
for (int l = 0; l <= lMax_; l++) { |
| 341 |
|
if (q[l] >= MinQ_ && q[l] < MaxQ_) { |
| 342 |
< |
int qbin = (q[l] - MinQ_) / deltaQ_; |
| 342 |
> |
int qbin = int((q[l] - MinQ_) / deltaQ_); |
| 343 |
|
Q_histogram_[std::make_pair(qbin,l)] += 1; |
| 344 |
|
Qcount_[l]++; |
| 345 |
|
} else { |
| 353 |
|
|
| 354 |
|
for (int l = 0; l <= lMax_; l++) { |
| 355 |
|
if (real(what[l]) >= MinW_ && real(what[l]) < MaxW_) { |
| 356 |
< |
int wbin = (real(what[l]) - MinW_) / deltaW_; |
| 356 |
> |
int wbin = int((real(what[l]) - MinW_) / deltaW_); |
| 357 |
|
W_histogram_[std::make_pair(wbin,l)] += 1; |
| 358 |
|
Wcount_[l]++; |
| 359 |
|
} else { |
