OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::ChargeField Class Reference

#include <Field.hpp>

Inheritance diagram for OpenMD::ChargeField:
OpenMD::Field< RealType > OpenMD::StaticAnalyser

Public Member Functions

 ChargeField (SimInfo *info, const std::string &filename, const std::string &sele1, RealType voxelSize)
 
virtual RealType getValue (StuntDouble *sd)
 
- Public Member Functions inherited from OpenMD::Field< RealType >
 Field (SimInfo *info, const std::string &filename, const std::string &sele, RealType voxelSize)
 
 ~Field ()
 
virtual void process ()
 
virtual void processFrame (int frame)
 
virtual void postProcess ()
 
virtual void writeField ()
 
virtual std::string writeValue (RealType v)
 
std::string writeValue (RealType v)
 
std::string writeValue (Vector3d v)
 
virtual void writeVisualizationScript ()
 
- Public Member Functions inherited from OpenMD::StaticAnalyser
 StaticAnalyser (SimInfo *info, const std::string &filename, unsigned int nbins)
 
virtual ~StaticAnalyser ()
 
void setOutputName (const std::string &filename)
 
const std::string & getOutputFileName () const
 
void setStep (int step)
 
int getStep ()
 
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::Field< RealType >
RealType getDensity (RealType dist, RealType sigma, RealType rcut)
 
- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
virtual void writeData (ostream &os, OutputData *dat, unsigned int bin)
 
virtual void writeErrorBars (ostream &os, OutputData *dat, unsigned int bin)
 
OutputDatabeginOutputData (vector< OutputData *>::iterator &i)
 
OutputDatanextOutputData (vector< OutputData *>::iterator &i)
 
- Protected Attributes inherited from OpenMD::Field< RealType >
Snapshotsnap_
 
int nProcessed_
 
string selectionScript_
 
SelectionManager seleMan_
 
SelectionEvaluator evaluator_
 
bool usePeriodicBoundaryConditions_
 
RealType rcut_
 
RealType reffective_
 
RealType voxelSize_
 
Vector3i nBins_
 
std::vector< std::vector< std::vector< RealType > > > dens_
 
std::vector< std::vector< std::vector< RealType > > > field_
 
- Protected Attributes inherited from OpenMD::StaticAnalyser
SimInfoinfo_
 
std::string dumpFilename_
 
std::string outputFilename_
 
int step_
 
std::string analysisType_
 
std::string paramString_
 
unsigned int nBins_
 
OutputDatacounts_
 
vector< OutputData * > data_
 

Detailed Description

Definition at line 101 of file Field.hpp.

Constructor & Destructor Documentation

◆ ChargeField()

OpenMD::ChargeField::ChargeField ( SimInfo info,
const std::string &  filename,
const std::string &  sele1,
RealType  voxelSize 
)

Definition at line 437 of file Field.cpp.

References OpenMD::getPrefix(), and OpenMD::StaticAnalyser::setOutputName().

Member Function Documentation

◆ getValue()


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