OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::DipoleOrientation Class Reference
Inheritance diagram for OpenMD::DipoleOrientation:

Public Member Functions

 DipoleOrientation (SimInfo *info, const std::string &filename, const std::string &sele, const RealType dipoleX, const RealType dipoleY, const RealType dipoleZ, int nzbins, int axis=2)
void processFrame (int frame)
void processStuntDouble (StuntDouble *, int)
Public Member Functions inherited from OpenMD::SlabStatistics
 SlabStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins, int axis)
virtual int getBin (Vector3d pos)
Public Member Functions inherited from OpenMD::SpatialStatistics
 SpatialStatistics (SimInfo *info, const std::string &filename, const std::string &sele, int nbins)
virtual void process ()
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 &params)

Additional Inherited Members

Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
Protected Attributes inherited from OpenMD::SlabStatistics
Mat3x3d hmat_
RealType volume_ {}
int axis_
std::string axisLabel_
Protected Attributes inherited from OpenMD::SpatialStatistics
SnapshotcurrentSnapshot_ {}
int nProcessed_ {}
std::string selectionScript_
SelectionEvaluator evaluator_
SelectionManager seleMan_
Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_ {nullptr}
std::string dumpFilename_
int step_
unsigned int nBins_
std::string outputFilename_
std::string analysisType_
std::string paramString_
std::vector< OutputDatadata_
std::vector< AtomType * > outputTypes_

Detailed Description

Definition at line 60 of file DipoleOrientation.hpp.

Constructor & Destructor Documentation

◆ DipoleOrientation()

OpenMD::DipoleOrientation::DipoleOrientation ( SimInfo * info,
const std::string & filename,
const std::string & sele,
const RealType dipoleX,
const RealType dipoleY,
const RealType dipoleZ,
int nzbins,
int axis = 2 )

Definition at line 67 of file DipoleOrientation.cpp.

Member Function Documentation

◆ processFrame()

void OpenMD::DipoleOrientation::processFrame ( int frame)
virtual

Reimplemented from OpenMD::SlabStatistics.

Definition at line 124 of file DipoleOrientation.cpp.

◆ processStuntDouble()

void OpenMD::DipoleOrientation::processStuntDouble ( StuntDouble * ,
int  )
inlinevirtual

Implements OpenMD::SpatialStatistics.

Definition at line 67 of file DipoleOrientation.hpp.


The documentation for this class was generated from the following files: