--- trunk/src/applications/staticProps/BondOrderParameter.cpp 2006/09/26 01:30:32 1052 +++ trunk/src/applications/staticProps/BondOrderParameter.cpp 2006/09/26 14:33:56 1053 @@ -85,8 +85,41 @@ namespace oopse { MinW_ = -0.25; MaxW_ = 0.25; deltaW_ = (MaxW_ - MinW_) / nbins; - } + // Make arrays for Wigner3jm + double* THRCOF = new double[2*lMax_+1]; + // Variables for Wigner routine + double lPass, m1Pass, m2m, m2M; + int error, mSize; + mSize = 2*lMax_+1; + + for (int l = 0; l <= lMax_; l++) { + lPass = (double)l; + for (int m1 = -l; m1 <= l; m1++) { + m1Pass = (double)m1; + + std::pair lm = std::make_pair(l, m1); + + // Zero work array + for (int ii = 0; ii < 2*l + 1; ii++){ + THRCOF[ii] = 0.0; + } + + // Get Wigner coefficients + Wigner3jm(&lPass, &lPass, &lPass, + &m1Pass, &m2m, &m2M, + THRCOF, &mSize, &error); + + m2Min[lm] = (int)floor(m2m); + m2Max[lm] = (int)floor(m2M); + + for (int mmm = 0; mmm < (int)(m2M - m2m); mmm++) { + w3j[lm].push_back(THRCOF[mmm]); + } + } + } + } + BondOrderParameter::~BondOrderParameter() { Q_histogram_.clear(); W_histogram_.clear(); @@ -128,12 +161,6 @@ namespace oopse { int nBonds, Nbonds; SphericalHarmonic sphericalHarmonic; int i, j; - // Make arrays for Wigner3jm - double* THRCOF = new double[2*lMax_+1]; - // Variables for Wigner routine - double lPass, m1Pass, m2Min, m2Max; - int error, m1, m2, m3, mSize; - mSize = 2*lMax_+1; DumpReader reader(info_, dumpFilename_); int nFrames = reader.getNFrames(); @@ -245,26 +272,13 @@ namespace oopse { for (int l = 0; l <= lMax_; l++) { w[l] = 0.0; - lPass = (double)l; for (int m1 = -l; m1 <= l; m1++) { - // Zero work array - for (int ii = 0; ii < 2*l + 1; ii++){ - THRCOF[ii] = 0.0; - } - // Get Wigner coefficients - m1Pass = (double)m1; - - Wigner3jm(&lPass, &lPass, &lPass, - &m1Pass, &m2Min, &m2Max, - THRCOF, &mSize, &error); - - for (int mmm = 0; mmm < (int)(m2Max - m2Min); mmm++) { - m2 = (int)floor(m2Min) + mmm; - m3 = -m1-m2; - w[l] += THRCOF[mmm] * - q[std::make_pair(l,m1)] * - q[std::make_pair(l,m2)] * - q[std::make_pair(l,m3)]; + std::pair lm = std::make_pair(l, m1); + for (int mmm = 0; mmm < (m2Max[lm] - m2Min[lm]); mmm++) { + int m2 = m2Min[lm] + mmm; + int m3 = -m1-m2; + w[l] += w3j[lm][mmm] * q[lm] * + q[std::make_pair(l,m2)] * q[std::make_pair(l,m3)]; } } @@ -303,27 +317,14 @@ namespace oopse { for (int l = 0; l <= lMax_; l++) { W[l] = 0.0; - lPass = (double)l; for (int m1 = -l; m1 <= l; m1++) { - // Zero work array - for (int ii = 0; ii < 2*l + 1; ii++){ - THRCOF[ii] = 0.0; + std::pair lm = std::make_pair(l, m1); + for (int mmm = 0; mmm < (m2Max[lm] - m2Min[lm]); mmm++) { + int m2 = m2Min[lm] + mmm; + int m3 = -m1-m2; + W[l] += w3j[lm][mmm] * QBar[lm] * + QBar[std::make_pair(l,m2)] * QBar[std::make_pair(l,m3)]; } - // Get Wigner coefficients - m1Pass = (double)m1; - - Wigner3jm(&lPass, &lPass, &lPass, - &m1Pass, &m2Min, &m2Max, - THRCOF, &mSize, &error); - - for (int mmm = 0; mmm < (int)(m2Max - m2Min); mmm++) { - m2 = (int)floor(m2Min) + mmm; - m3 = -m1-m2; - W[l] += THRCOF[mmm] * - QBar[std::make_pair(l,m1)] * - QBar[std::make_pair(l,m2)] * - QBar[std::make_pair(l,m3)]; - } } W_hat[l] = W[l] / pow(Q2[l], 1.5);