Inheritance diagram for OpenMD::IcosahedralOfR:

Public Member Functions
	IcosahedralOfR (SimInfo *info, const std::string &filename, const std::string &sele, double rCut, unsigned int nbins, RealType len)

virtual void	collectHistogram (std::vector< RealType > q, std::vector< ComplexType > what, RealType distCOM)

virtual void	writeOrderParameter ()

Public Member Functions inherited from OpenMD::BOPofR
	BOPofR (SimInfo *info, const std::string &filename, const std::string &sele, double rCut, unsigned int nbins, RealType len)

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::BOPofR
virtual void	initializeHistogram ()

Protected Member Functions inherited from OpenMD::StaticAnalyser
virtual void	writeOutput ()

Protected Attributes inherited from OpenMD::BOPofR
Snapshot *	currentSnapshot_

std::string	selectionScript_

SelectionManager	seleMan_

SelectionEvaluator	evaluator_

RealType	rCut_

int	frameCounter_

RealType	len_

RealType	deltaR_

std::map< std::pair< int, int >, int >	m2Min

std::map< std::pair< int, int >, int >	m2Max

std::map< std::pair< int, int >, std::vector< RealType > >	w3j

std::vector< int >	RCount_

std::vector< int >	WofR_

std::vector< int >	QofR_

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_

Static Protected Attributes inherited from OpenMD::BOPofR
static const int	lMax_ = 6

Detailed Description

Definition at line 90 of file BOPofR.hpp.

Constructor & Destructor Documentation

OpenMD::IcosahedralOfR::IcosahedralOfR	(	SimInfo *	info,
		const std::string &	filename,
		const std::string &	sele,
		double	rCut,
		unsigned int	nbins,
		RealType	len )

Definition at line 284 of file BOPofR.cpp.

void OpenMD::IcosahedralOfR::collectHistogram	(	std::vector< RealType >	q,
		std::vector< ComplexType >	what,
		RealType	distCOM )

virtual

Definition at line 291 of file BOPofR.cpp.

void OpenMD::IcosahedralOfR::writeOrderParameter ( )

virtual

Definition at line 323 of file BOPofR.cpp.

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