OpenMD 3.2
Molecular Dynamics in the Open
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OpenMD::P2OrderParameter Class Reference
Inheritance diagram for OpenMD::P2OrderParameter:

Public Member Functions

 P2OrderParameter (SimInfo *info, const string &filename, const string &sele1)
 P2OrderParameter (SimInfo *info, const string &filename, const string &sele1, const string &sele2)
 P2OrderParameter (SimInfo *info, const string &filename, const string &sele1, const int seleOffset)
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::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 58 of file P2OrderParameter.hpp.

Constructor & Destructor Documentation

◆ P2OrderParameter() [1/3]

OpenMD::P2OrderParameter::P2OrderParameter ( SimInfo * info,
const string & filename,
const string & sele1 )

Definition at line 58 of file P2OrderParameter.cpp.

◆ P2OrderParameter() [2/3]

OpenMD::P2OrderParameter::P2OrderParameter ( SimInfo * info,
const string & filename,
const string & sele1,
const string & sele2 )

Definition at line 68 of file P2OrderParameter.cpp.

◆ P2OrderParameter() [3/3]

OpenMD::P2OrderParameter::P2OrderParameter ( SimInfo * info,
const string & filename,
const string & sele1,
const int seleOffset )

Definition at line 80 of file P2OrderParameter.cpp.

Member Function Documentation

◆ process()

void OpenMD::P2OrderParameter::process ( )
virtual

Implements OpenMD::StaticAnalyser.

Definition at line 91 of file P2OrderParameter.cpp.


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