RASPA3 3.0.28
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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PropertyNumberOfMoleculesEvolution Struct Referenceexport
Collaboration diagram for PropertyNumberOfMoleculesEvolution:

Public Member Functions

 PropertyNumberOfMoleculesEvolution (std::size_t numberOfCycles, std::size_t numberOfComponents, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)
 
void addSample (std::size_t absoluteCurrentCycle, const std::vector< std::size_t > &numberOfIntegerMoleculesPerComponent)
 
void writeOutput (std::size_t systemId, std::size_t absoluteCurrentCycle)
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t numberOfComponents
 
std::size_t sampleEvery
 
std::optional< std::size_t > writeEvery
 
std::size_t totalSamples
 
std::vector< std::vector< std::size_t > > result
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertyNumberOfMoleculesEvolution &hist)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertyNumberOfMoleculesEvolution &hist)
 

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