Пример #1
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  RCorrFunc::RCorrFunc(SimInfo* info, const std::string& filename, const std::string& sele1, const std::string& sele2, long long int memSize)
    : ParticleTimeCorrFunc(info, filename, sele1, sele2, DataStorage::dslPosition, memSize){

      setCorrFuncType("RCorrFunc");
      setOutputName(getPrefix(dumpFilename_) + ".rcorr");

    }
Пример #2
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  RCorrFunc::RCorrFunc(SimInfo* info, const std::string& filename, 
                       const std::string& sele1, const std::string& sele2)
    : AutoCorrFunc(info, filename, sele1, sele2, 
                   DataStorage::dslPosition | DataStorage::dslAmat){
    
    setCorrFuncType("Mean Square Displacement");
    setOutputName(getPrefix(dumpFilename_) + ".rcorr");

    positions_.resize(nFrames_);
  }
Пример #3
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 RCorrFuncR::RCorrFuncR(SimInfo* info, const std::string& filename, 
                        const std::string& sele1, const std::string& sele2)
   : AutoCorrFunc(info, filename, sele1, sele2, 
                  DataStorage::dslPosition | DataStorage::dslAmat){
   
   // Turn on COM calculation in reader:
   bool ncp = true;
   reader_->setNeedCOMprops(ncp);    
   setCorrFuncType("MSD (radial projection)");
   setOutputName(getPrefix(dumpFilename_) + ".r_rcorr");
   positions_.resize(nFrames_);
 }
Пример #4
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ThetaCorrFunc::ThetaCorrFunc(SimInfo* info, const std::string& filename,
                             const std::string& sele1,
                             const std::string& sele2, long long int memSize)
    : ParticleTimeCorrFunc(info, filename, sele1, sele2,
                           DataStorage::dslPosition, memSize) {

    setCorrFuncType("ThetaCorrFunc");
    setOutputName(getPrefix(dumpFilename_) + ".tcorr");

    // Turn on COM calculation in block snapshot
    bool ncp = true;
    bsMan_->needCOMprops(ncp);
}
Пример #5
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  // We need all of the positions, velocities, etc. so that we can
  // recalculate pressures and actions on the fly:
  MomentumCorrFunc::MomentumCorrFunc(SimInfo* info, const std::string& filename, 
				 const std::string& sele1, 
				 const std::string& sele2,
                                 long long int memSize)
    : FrameTimeCorrFunc(info, filename, sele1, sele2, 
			DataStorage::dslPosition | 
			DataStorage::dslVelocity,
			memSize){

      setCorrFuncType("MomentumCorrFunc");
      setOutputName(getPrefix(dumpFilename_) + ".momcorr");
      histogram_.resize(nTimeBins_); 
      count_.resize(nTimeBins_);
    }
Пример #6
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  RCorrFuncZ::RCorrFuncZ(SimInfo* info, const std::string& filename, 
                         const std::string& sele1, const std::string& sele2,
                         int nZbins)
    : AutoCorrFunc(info, filename, sele1, sele2, 
                   DataStorage::dslPosition | DataStorage::dslAmat){

    setCorrFuncType("Mean Square Displacement binned by Z");
    setOutputName(getPrefix(dumpFilename_) + ".rcorrZ");
    positions_.resize(nFrames_);
    zBins_.resize(nFrames_);
    nZBins_ = nZbins;
 
    histograms_.resize(nTimeBins_);
    counts_.resize(nTimeBins_);
    for (int i = 0; i < nTimeBins_; i++) {
      histograms_[i].resize(nZBins_);
      counts_[i].resize(nZBins_);
      std::fill(histograms_[i].begin(), histograms_[i].end(), 0.0);
      std::fill(counts_[i].begin(), counts_[i].end(), 0);
    }
  }