76 |
|
// Q can take values from 0 to 1 |
77 |
|
|
78 |
|
MinQ_ = 0.0; |
79 |
< |
MaxQ_ = 1.0; |
79 |
> |
MaxQ_ = 3.0; |
80 |
|
deltaQ_ = (MaxQ_ - MinQ_) / nbins; |
81 |
|
Q_histogram_.resize(nbins); |
82 |
|
|
114 |
|
RealType phi; |
115 |
|
RealType r; |
116 |
|
RealType dist; |
117 |
< |
std::map<int, ComplexType> QBar_lm; |
117 |
> |
std::map<int,ComplexType> QBar_lm; |
118 |
|
RealType QSq_l; |
119 |
|
RealType Q_l; |
120 |
|
ComplexType W_l; |
208 |
|
// Normalize Qbar2 |
209 |
|
for (int m = -lNumber_;m <= lNumber_; m++){ |
210 |
|
QBar_lm[m] /= nBonds; |
211 |
– |
std::cout << "m = " << m << " QBLM = " << QBar_lm[m] << "\n"; |
211 |
|
} |
212 |
|
|
213 |
|
// Find second order invariant Q_l |
216 |
|
for (int m = -lNumber_; m <= lNumber_; m++){ |
217 |
|
QSq_l += norm(QBar_lm[m]); |
218 |
|
} |
220 |
– |
std::cout << "qsq_l = " << QSq_l << "\n"; |
221 |
– |
Q_l = sqrt(QSq_l*(4.0 * NumericConstant::PI / (2.0*(RealType)lNumber_ + 1))); |
219 |
|
|
220 |
+ |
Q_l = sqrt(QSq_l * 4.0 * NumericConstant::PI / |
221 |
+ |
(2.0*(RealType)lNumber_ + 1.0)); |
222 |
+ |
|
223 |
|
// Find Third Order Invariant W_l |
224 |
|
|
225 |
|
W_l = 0.0; |
226 |
|
for (int m1 = -lNumber_; m1 <= lNumber_; m1++) { |
227 |
|
// Zero work array |
228 |
|
for (int ii = 0; ii < mSize_; ii++){ |
229 |
< |
THRCOF[i] = 0.0; |
229 |
> |
THRCOF[ii] = 0.0; |
230 |
|
} |
231 |
|
// Get Wigner coefficients |
232 |
|
m1Pass = (double)m1; |
233 |
< |
Wigner3jm(&l_, &l_, &l_, &m1Pass, &m2Min, &m2Max, THRCOF, &mSize_, &error); |
234 |
< |
for (int m_index = 1; m_index < (int)(m2Max - m2Min-1.0); m_index++) { |
235 |
< |
m2 = floor(m2Min) + m_index - 1; |
233 |
> |
|
234 |
> |
Wigner3jm(&l_, &l_, &l_, |
235 |
> |
&m1Pass, &m2Min, &m2Max, |
236 |
> |
THRCOF, &mSize_, &error); |
237 |
> |
|
238 |
> |
for (int mmm = 0; mmm < (int)(m2Max - m2Min); mmm++) { |
239 |
> |
m2 = (int)floor(m2Min) + mmm; |
240 |
|
m3 = -m1-m2; |
241 |
< |
W_l += THRCOF[m_index]*QBar_lm[m1+lNumber_]*QBar_lm[m2+lNumber_]*QBar_lm[m3+lNumber_]; |
241 |
> |
W_l += THRCOF[mmm] * QBar_lm[m1] * QBar_lm[m2] * QBar_lm[m3]; |
242 |
|
} |
243 |
|
} |
244 |
|
|
305 |
|
// Normalize by number of frames and write it out: |
306 |
|
for (int i = 0; i < Q_histogram_.size(); ++i) { |
307 |
|
RealType Qval = MinQ_ + (i + 0.5) * deltaQ_; |
308 |
< |
osq << Qval << "\t" << Q_histogram_[i] / frameCounter_ << "\n"; |
308 |
> |
osq << Qval << "\t" << (RealType)Q_histogram_[i] / (RealType)Qcount_ << "\n"; |
309 |
|
} |
310 |
|
|
311 |
|
osq.close(); |
331 |
|
// Normalize by number of frames and write it out: |
332 |
|
for (int i = 0; i < W_histogram_.size(); ++i) { |
333 |
|
RealType Wval = MinW_ + (i + 0.5) * deltaW_; |
334 |
< |
osw << Wval << "\t" << W_histogram_[i] / frameCounter_ << "\n"; |
334 |
> |
osw << Wval << "\t" << (RealType)W_histogram_[i] / (RealType)Wcount_ << "\n"; |
335 |
|
} |
336 |
|
|
337 |
|
osw.close(); |