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

Public Member Functions

 Equipartition (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
virtual void doFrame (int frame)
virtual void writeSequence ()
Public Member Functions inherited from OpenMD::SequentialAnalyzer
 SequentialAnalyzer (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2)
virtual void doSequence ()
void setOutputName (const std::string &filename)
const std::string & getOutputFileName () const
void setStep (int step)
int getStep ()
const std::string & getSequenceType () const
void setSequenceType (const std::string &type)
void setParameterString (const std::string &params)

Additional Inherited Members

Protected Member Functions inherited from OpenMD::SequentialAnalyzer
virtual void preSequence ()
virtual void postSequence ()
Protected Attributes inherited from OpenMD::SequentialAnalyzer
SimInfoinfo_ {nullptr}
SnapshotcurrentSnapshot_
std::string dumpFilename_
SelectionManager seleMan1_
std::string selectionScript1_
SelectionEvaluator evaluator1_
SelectionManager seleMan2_
std::string selectionScript2_
SelectionEvaluator evaluator2_
int step_
std::string outputFilename_
int frame_
std::vector< RealType > times_
std::vector< RealType > values_
std::string sequenceType_
std::string paramString_

Detailed Description

Definition at line 56 of file equipartitionTest.hpp.

Constructor & Destructor Documentation

◆ Equipartition()

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

Definition at line 60 of file equipartitionTest.cpp.

Member Function Documentation

◆ doFrame()

void OpenMD::Equipartition::doFrame ( int frame)
virtual

Implements OpenMD::SequentialAnalyzer.

Definition at line 67 of file equipartitionTest.cpp.

◆ writeSequence()

void OpenMD::Equipartition::writeSequence ( )
virtual

Reimplemented from OpenMD::SequentialAnalyzer.

Definition at line 101 of file equipartitionTest.cpp.


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