Collaboration diagram for PropertyMeanSquaredDisplacement:

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Public Member Functions
	PropertyMeanSquaredDisplacement (std::size_t sampleEvery, std::optional< std::size_t > writeEvery)

	PropertyMeanSquaredDisplacement (const std::vector< std::size_t > &numberOfMoleculesPerComponent, std::size_t numberOfParticles, double timeStep, std::size_t numberOfBlockElementsMSD, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)

void	addSample (std::size_t currentCycle, std::vector< Molecule > &molecules)

std::vector< std::vector< MeanSquaredDisplacementData > >	result ()

void	writeOutput (std::size_t systemId, const std::vector< Component > &components, std::size_t currentCycle)

Public Attributes
std::uint64_t	versionNumber {1}

std::size_t	numberOfBlocks

std::vector< std::size_t >	numberOfMoleculesPerComponent

std::size_t	numberOfComponents

std::size_t	numberOfParticles

double	timeStep

std::size_t	numberOfBlockElementsMSD

std::size_t	sampleEvery

std::optional< std::size_t >	writeEvery

std::size_t	maxNumberOfBlocksMSD

std::size_t	countMSD {0uz}

std::size_t	numberOfBlocksMSD {0uz}

std::vector< std::size_t >	blockLengthMSD

std::vector< std::vector< std::vector< std::size_t > > >	msdSelfCount

std::vector< std::vector< std::vector< double3 > > >	blockDataMSDSelf

std::vector< std::vector< std::vector< double4 > > >	msdSelf

std::vector< std::vector< std::vector< std::size_t > > >	msdOnsagerCount

std::vector< std::vector< std::vector< double3 > > >	blockDataMSDOnsager

std::vector< std::vector< std::vector< std::vector< double4 > > > >	msdOnsager

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const PropertyMeanSquaredDisplacement &msd)

Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, PropertyMeanSquaredDisplacement &msd)

The documentation for this struct was generated from the following file:

Public Member Functions

Public Attributes