Collaboration diagram for PropertyMeanSquaredDisplacement:

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Public Member Functions
	PropertyMeanSquaredDisplacement (std::size_t numberOfComponents, std::size_t numberOfParticles, std::size_t sampleEvery, std::size_t writeEvery, std::size_t numberOfBlockElementsMSD)

void	addSample (std::size_t currentCycle, const std::vector< Component > &components, const std::vector< std::size_t > &numberOfMoleculesPerComponent, std::vector< Molecule > &molecules)

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

Public Attributes
std::uint64_t	versionNumber {1}

std::size_t	numberOfBlocks

std::size_t	sampleEvery

std::size_t	writeEvery

std::size_t	numberOfComponents

std::size_t	numberOfParticles

std::size_t	numberOfBlockElementsMSD

std::size_t	maxNumberOfBlocksMSD

std::size_t	countMSD {0uz}

std::size_t	numberOfBlocksMSD

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