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 93 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 287 of file BOPofR.cpp.

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

virtual

Definition at line 294 of file BOPofR.cpp.

void OpenMD::IcosahedralOfR::writeOrderParameter ( )

virtual

Definition at line 326 of file BOPofR.cpp.

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