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OpenMD 3.2
Molecular Dynamics in the Open
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Public Member Functions | |
| SlabStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins, int axis) | |
| virtual int | getBin (Vector3d pos) |
| virtual void | processFrame (int frame) |
| Public Member Functions inherited from OpenMD::SpatialStatistics | |
| SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins) | |
| virtual void | process () |
| virtual void | processStuntDouble (StuntDouble *sd, int bin)=0 |
| Public Member Functions inherited from OpenMD::StaticAnalyser | |
| StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins) | |
| void | setOutputName (const std::string &filename) |
| const std::string & | getOutputFileName () const |
| void | setStep (int step) |
| int | getStep () const |
| const std::string & | getAnalysisType () const |
| void | setAnalysisType (const std::string &type) |
| void | setParameterString (const std::string ¶ms) |
Protected Attributes | |
| Mat3x3d | hmat_ |
| RealType | volume_ {} |
| int | axis_ |
| std::string | axisLabel_ |
| Protected Attributes inherited from OpenMD::SpatialStatistics | |
| Snapshot * | currentSnapshot_ {} |
| int | nProcessed_ {} |
| std::string | selectionScript_ |
| SelectionEvaluator | evaluator_ |
| SelectionManager | seleMan_ |
| Protected Attributes inherited from OpenMD::StaticAnalyser | |
| SimInfo * | info_ {nullptr} |
| std::string | dumpFilename_ |
| int | step_ |
| unsigned int | nBins_ |
| std::string | outputFilename_ |
| std::string | analysisType_ |
| std::string | paramString_ |
| std::vector< OutputData > | data_ |
| std::vector< AtomType * > | outputTypes_ |
Additional Inherited Members | |
| Protected Member Functions inherited from OpenMD::StaticAnalyser | |
| virtual void | writeOutput () |
Definition at line 83 of file SpatialStatistics.hpp.
| OpenMD::SlabStatistics::SlabStatistics | ( | SimInfo * | info, |
| const std::string & | filename, | ||
| const std::string & | sele, | ||
| int | nbins, | ||
| int | axis ) |
Definition at line 114 of file SpatialStatistics.cpp.
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virtual |
Implements OpenMD::SpatialStatistics.
Definition at line 142 of file SpatialStatistics.cpp.
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virtual |
Reimplemented from OpenMD::SpatialStatistics.
Definition at line 133 of file SpatialStatistics.cpp.
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protected |
Definition at line 94 of file SpatialStatistics.hpp.
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protected |
Definition at line 95 of file SpatialStatistics.hpp.
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protected |
Definition at line 92 of file SpatialStatistics.hpp.
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protected |
Definition at line 93 of file SpatialStatistics.hpp.