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"); }
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_); }
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_); }
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); }
// 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_); }
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); } }