A property writer class for writing LAMMPS data files. More...

Public Member Functions
	WriteLammpsData (std::size_t systemId, std::size_t sampleEvery)

void	update (std::size_t currentCycle, std::span< const Component > components, std::span< const Atom > atomPositions, const SimulationBox simulationBox, const ForceField forceField, std::vector< std::size_t > numberOfIntegerMoleculesPerComponent, std::optional< Framework > framework)
	Write data to LAMMPS file.

Public Attributes
std::uint64_t	versionNumber {1}

std::size_t	sampleEvery {10}
	Writing frequency.

std::size_t	systemId
	Necessary for determining filename.

int	modelNumber {1}

Friends
Archive< std::ofstream > &	operator<< (Archive< std::ofstream > &archive, const WriteLammpsData &box)

Archive< std::ifstream > &	operator>> (Archive< std::ifstream > &archive, WriteLammpsData &box)

Detailed Description

A property writer class for writing LAMMPS data files.

Needs IO::WriteLAMMPSDataFile, which does the actual writing, this class itself is just a property holding class managing file names and writing frequency.

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

src/raspakit/properties/lammps_data.ixx

Public Member Functions

Public Attributes

Friends

Detailed Description