OpenMD 3.1
Molecular Dynamics in the Open
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OpenMD::TranslationalOrderParamZ Class Reference

TranslationalOrder ParameterZ. More...

#include <TranslationalOrderParamZ.hpp>

+ Inheritance diagram for OpenMD::TranslationalOrderParamZ:

Public Member Functions

 TranslationalOrderParamZ (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, double rCut, int nrbins, int nzbins, RealType len, RealType zlen, int axis=2)
 
int getNRBins ()
 
RealType getLength ()
 
int getNZBins ()
 
- Public Member Functions inherited from OpenMD::RadialDistrFunc
 RadialDistrFunc (SimInfo *info, const std::string &filename, const std::string &sele1, const std::string &sele2, unsigned int nbins)
 
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::RadialDistrFunc
virtual void processNonOverlapping (SelectionManager &sman1, SelectionManager &sman2)
 
virtual void processOverlapping (SelectionManager &sman)
 
int getNPairs ()
 
int getNSelected1 ()
 
int getNSelected2 ()
 
- Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void writeOutput ()
 
- Protected Attributes inherited from OpenMD::RadialDistrFunc
SnapshotcurrentSnapshot_
 
std::string selectionScript1_
 
std::string selectionScript2_
 
int nProcessed_
 
SelectionEvaluator evaluator1_
 
SelectionEvaluator evaluator2_
 
SelectionManager seleMan1_
 
SelectionManager seleMan2_
 
SelectionManager sele1_minus_common_
 
SelectionManager sele2_minus_common_
 
SelectionManager common_
 
- 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

TranslationalOrder ParameterZ.

Computes local translational order parameter t as introduced in:

"Towards a quantification of disorder in materials: Distinguishing equilibrium and glassy sphere packings," by T. M. Truskett, S. Torquato, and P. G. Debenedetti, Phys. Rev. E 62(1), pp. 994-1001 (2000).

and in:

"Molecular structural order and anomalies in liquid silica," by M. Scott Shell, Pablo G. Debenedetti, and Athanassios Z. Panagiotopoulos, Phys. Rev. E 66, 011202 (2002).

Definition at line 68 of file TranslationalOrderParamZ.hpp.

Constructor & Destructor Documentation

◆ TranslationalOrderParamZ()

OpenMD::TranslationalOrderParamZ::TranslationalOrderParamZ ( SimInfo * info,
const std::string & filename,
const std::string & sele1,
const std::string & sele2,
double rCut,
int nrbins,
int nzbins,
RealType len,
RealType zlen,
int axis = 2 )

Definition at line 57 of file TranslationalOrderParamZ.cpp.

Member Function Documentation

◆ getLength()

RealType OpenMD::TranslationalOrderParamZ::getLength ( )
inline

Definition at line 76 of file TranslationalOrderParamZ.hpp.

◆ getNRBins()

int OpenMD::TranslationalOrderParamZ::getNRBins ( )
inline

Definition at line 75 of file TranslationalOrderParamZ.hpp.

◆ getNZBins()

int OpenMD::TranslationalOrderParamZ::getNZBins ( )
inline

Definition at line 77 of file TranslationalOrderParamZ.hpp.


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