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OpenMD::COHZ Class Reference
Inheritance diagram for OpenMD::COHZ:
Public Member Functions | |
| COHZ (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, int order, int nZbins, int axis=2) | |
| Public Member Functions inherited from OpenMD::MoleculeACF< Vector< RealType, 4 > > | |
| MoleculeACF (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2) | |
| Public Member Functions inherited from OpenMD::AutoCorrFunc< Vector< RealType, 4 > > | |
| AutoCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2) | |
| Public Member Functions inherited from OpenMD::TimeCorrFunc< Vector< RealType, 4 > > | |
| TimeCorrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2) | |
| virtual void | doCorrelate () |
| const std::string & | getCorrFuncType () const |
| void | setCorrFuncType (const std::string &type) |
| void | setParameterString (const std::string ¶ms) |
| void | setLabelString (const std::string &label) |
| void | setWindowingParameters (RealType tcorr_fs, int nStart, RealType tsep_fs) |
| Public Member Functions inherited from OpenMD::DynamicProperty | |
| void | setOutputName (const std::string &filename) |
| const std::string & | getOutputFileName () const |
| void | setSelectionModeRestart () |
Additional Inherited Members | |
| Protected Member Functions inherited from OpenMD::MoleculeACF< Vector< RealType, 4 > > | |
| virtual void | computeProperty2 (int) |
| Protected Member Functions inherited from OpenMD::AutoCorrFunc< Vector< RealType, 4 > > | |
| virtual void | computeProperty1 (int frame)=0 |
| Protected Member Functions inherited from OpenMD::TimeCorrFunc< Vector< RealType, 4 > > | |
| void | writeCorrelate () |
| void | writeCorrelate () |
| void | writeCorrelate () |
| void | writeCorrelate () |
| virtual void | preCorrelate () |
| virtual void | correlation () |
| virtual Vector< RealType, 4 > | calcCorrVal (int frame1, int frame2)=0 |
| Protected Attributes inherited from OpenMD::TimeCorrFunc< Vector< RealType, 4 > > | |
| RealType | deltaTime_ |
| unsigned int | nTimeBins_ |
| int | nFrames_ |
| std::vector< Vector< RealType, 4 > > | histogram_ |
| std::vector< int > | count_ |
| std::vector< RealType > | times_ |
| RealType | dtMean_ |
| RealType | dtSigma_ |
| SimInfo * | info_ |
| DumpReader * | reader_ |
| std::string | dumpFilename_ |
| SelectionManager | seleMan1_ |
| SelectionManager | seleMan2_ |
| Snapshot * | currentSnapshot_ |
| std::string | selectionScript1_ |
| std::string | selectionScript2_ |
| SelectionEvaluator | evaluator1_ |
| SelectionEvaluator | evaluator2_ |
| bool | uniqueSelections_ |
| bool | autoCorrFunc_ |
| bool | doSystemProperties_ |
| bool | doMolecularProperties_ |
| bool | doObjectProperties_ |
| bool | doAtomicProperties_ |
| bool | doBondProperties_ |
| bool | allowTimeFuzz_ |
| std::string | corrFuncType_ |
| std::string | paramString_ |
| std::string | labelString_ |
| std::vector< std::vector< int > > | sele1ToIndex_ |
| std::vector< std::vector< int > > | sele2ToIndex_ |
| ProgressBarPtr | progressBar_ |
| std::vector< std::vector< int > > | GIDtoSele1_ |
| std::vector< std::vector< int > > | GIDtoSele2_ |
| std::vector< std::vector< int > > | selection1StartFrame_ |
| std::vector< std::vector< int > > | selection2StartFrame_ |
| int | nStart_ |
| int | nSep_ |
| int | nStride_ |
| int | navg_ |
| bool | useWindowing_ |
| Protected Attributes inherited from OpenMD::DynamicProperty | |
| std::string | outputFilename_ |
| bool | selectionModeRestart_ |
Detailed Description
Constructor & Destructor Documentation
◆ COHZ()
| OpenMD::COHZ::COHZ | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | sele1, | ||
| const std::string & | sele2, | ||
| int | order, | ||
| int | nZbins, | ||
| int | axis = 2 ) |
The documentation for this class was generated from the following files:
