RASPA3 3.0.28
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
Loading...
Searching...
No Matches
PropertyConservedEnergyEvolution Struct Referenceexport
Collaboration diagram for PropertyConservedEnergyEvolution:

Public Member Functions

 PropertyConservedEnergyEvolution (std::size_t sampleEvery, std::optional< std::size_t > writeEvery)
 
 PropertyConservedEnergyEvolution (std::size_t numberOfCycles, std::size_t sampleEvery, std::optional< std::size_t > writeEvery)
 
const std::vector< RunningEnergy > result () const
 
void addSample (std::size_t absoluteCurrentCycle, const RunningEnergy &data)
 
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< RunningEnergy > data
 

Friends

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

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