OpenMD 3.0
Molecular Dynamics in the Open
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OpenMD::ChargeField Class Reference
+ Inheritance diagram for OpenMD::ChargeField:

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)
 
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)
 
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::Field< RealType >
RealType getDensity (RealType dist, RealType sigma, RealType rcut)
 
- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
- 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_ {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 98 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 446 of file Field.cpp.

Member Function Documentation

◆ getValue()

RealType OpenMD::ChargeField::getValue ( StuntDouble * sd)
virtual

Implements OpenMD::Field< RealType >.

Definition at line 452 of file Field.cpp.


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