Collaboration diagram for PropertyVelocityAutoCorrelationFunction:

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Public Member Functions
	PropertyVelocityAutoCorrelationFunction (std::size_t numberOfBuffersVACF, std::size_t bufferLengthVACF, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)

	PropertyVelocityAutoCorrelationFunction (const std::vector< std::size_t > &numberOfMoleculesPerComponent, std::size_t numberOfParticles, double timeStep, std::size_t numberOfBuffersVACF, std::size_t bufferLengthVACF, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)

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

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

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

Public Attributes
std::uint64_t	versionNumber {1}

std::vector< std::size_t >	numberOfMoleculesPerComponent

std::size_t	numberOfComponents

std::size_t	numberOfParticles

double	timeStep

std::size_t	numberOfBuffersVACF

std::size_t	bufferLengthVACF

std::size_t	sampleEvery

std::optional< std::size_t >	writeEvery

std::vector< std::vector< double3 > >	originVACF

std::vector< std::vector< double3 > >	originOnsagerVACF

std::vector< std::vector< std::vector< double4 > > >	acfVACF

std::vector< std::vector< std::vector< std::vector< double4 > > > >	acfOnsagerVACF

std::vector< std::vector< double4 > >	accumulatedAcfVACF

std::vector< std::vector< std::vector< double4 > > >	accumulatedAcfOnsagerVACF

std::vector< std::int64_t >	countVACF

std::size_t	countAccumulatedVACF

std::vector< double3 >	sumVel

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

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

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

Public Member Functions

Public Attributes