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* |
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* Created by J. Daniel Gezelter on 09/26/06. |
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* @author J. Daniel Gezelter |
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* @version $Id: BOPofR.cpp,v 1.1 2007-04-11 23:27:20 chuckv Exp $ |
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* @version $Id: BOPofR.cpp,v 1.3 2007-12-06 19:52:11 chuckv Exp $ |
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* |
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*/ |
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RCount_.resize(nBins_); |
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WofR_.resize(nBins_); |
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QofR_.resize(nBins_); |
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for (int i = 0; i < nBins_; i++){ |
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RCount_[i] = 0; |
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WofR_[i] = 0; |
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QofR_[i] = 0; |
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} |
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// Make arrays for Wigner3jm |
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double* THRCOF = new double[2*lMax_+1]; |
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} |
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delete [] THRCOF; |
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THRCOF = NULL; |
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for (int bin = 0; bin < nBins_; bin++) { |
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QofR_[bin].resize(lMax_ + 1); |
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WofR_[bin].resize(lMax_ + 1 ); |
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RCount_[bin].resize(lMax_ + 1); |
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for (int l = 0; l <= lMax_; l++) { |
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QofR_[bin][l] = 0.0; |
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WofR_[bin][l] = 0.0; |
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RCount_[bin][l] = 1; |
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} |
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} |
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THRCOF = NULL; |
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} |
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void BOPofR::initalizeHistogram() { |
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for (int bin = 0; bin < nBins_; bin++) { |
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QofR_[bin].resize(lMax_); |
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WofR_[bin].resize(lMax_); |
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RCount_[bin].resize(lMax_); |
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for (int l = 0; l <= lMax_; l++) { |
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QofR_[bin][l] = 0; |
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WofR_[bin][l] = 0; |
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RCount_[bin][l] = 0; |
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} |
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} |
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for (int i = 0; i < nBins_; i++){ |
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RCount_[i] = 0; |
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WofR_[i] = 0; |
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QofR_[i] = 0; |
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} |
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} |
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} |
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collectHistogram(q_l, w_hat, distCOM); |
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if(real(w_hat[6]) < -0.1){ |
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std::cout << real(w_hat[6]) << pos << std::endl; |
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} |
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// printf( "%s %18.10g %18.10g %18.10g %18.10g \n", sd->getType().c_str(),pos[0],pos[1],pos[2],real(w_hat[6])); |
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} |
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} |
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if ( distCOM < len_){ |
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// Figure out where this distance goes... |
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int whichBin = distCOM / deltaR_; |
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for (int l = 0; l <= lMax_; l++) { |
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RCount_[whichBin][l]++; |
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QofR_[whichBin][l]=q[l]; |
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WofR_[whichBin][l]=real(what[l]); |
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RCount_[whichBin]++; |
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if(real(what[6]) < -0.15){ |
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WofR_[whichBin]++; |
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} |
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if(q[6] > 0.5){ |
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QofR_[whichBin]++; |
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} |
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} |
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} |
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for (int i = 0; i < nBins_; ++i) { |
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RealType Rval = (i + 0.5) * deltaR_; |
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osq << Rval; |
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for (int l = 0; l <= lMax_; l++) { |
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osq << "\t" << (RealType)QofR_[i][l]/(RealType)RCount_[i][l]; |
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} |
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osq << "\n"; |
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if (RCount_[i] == 0){ |
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osq << "\t" << 0; |
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> |
osq << "\n"; |
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}else{ |
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osq << "\t" << (RealType)QofR_[i]/(RealType)RCount_[i]; |
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osq << "\n"; |
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} |
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} |
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osq.close(); |
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for (int i = 0; i < nBins_; ++i) { |
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RealType Rval = deltaR_ * (i + 0.5); |
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osw << Rval; |
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for (int l = 0; l <= lMax_; l++) { |
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osw << "\t" << (RealType)WofR_[i][l]/(RealType)RCount_[i][l]; |
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} |
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osw << "\n"; |
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if (RCount_[i] == 0){ |
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osw << "\t" << 0; |
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osw << "\n"; |
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}else{ |
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osw << "\t" << (RealType)WofR_[i]/(RealType)RCount_[i]; |
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osw << "\n"; |
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} |
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} |
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osw.close(); |
