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
Snapshot *	currentSnapshot_
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
SimInfo *	info_ {nullptr}
std::string	dumpFilename_
int	step_
unsigned int	nBins_
std::string	outputFilename_
std::string	analysisType_
std::string	paramString_
std::vector< OutputData >	data_
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 71 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 )