RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertySimulationBox Struct Referenceexport
Collaboration diagram for PropertySimulationBox:

Public Member Functions

 PropertySimulationBox (std::size_t numberOfBlocks)
 
bool operator== (PropertySimulationBox const &) const =default
 
void addSample (std::size_t blockIndex, const SimulationBox &box, const double &weight)
 
SimulationBox averagedSimulationBox (std::size_t blockIndex) const
 
SimulationBox averagedSimulationBox () const
 
std::pair< SimulationBox, SimulationBoxaverageSimulationBox () const
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t numberOfBlocks
 
std::vector< std::pair< SimulationBox, double > > bookKeepingSimulationBox
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertySimulationBox &box)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertySimulationBox &box)
 

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