RASPA3 3.0.28
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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Public Member Functions | Public Attributes | Friends | List of all members
PropertyVolumeEvolution Struct Referenceexport
module property_volume_evolution
Collaboration diagram for PropertyVolumeEvolution:
Collaboration graph
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Public Member Functions

 PropertyVolumeEvolution (std::size_t numberOfCycles, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)
 
void addSample (std::size_t absoluteCurrentCycle, double currentVolume)
 
void writeOutput (std::size_t systemId, std::size_t absoluteCurrentCycle)
 

Public Attributes

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

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertyVolumeEvolution &hist)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertyVolumeEvolution &hist)
 
The documentation for this struct was generated from the following file: