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

Public Member Functions

 EnthalpyOfAdsorptionTerms (std::size_t size)
 
 EnthalpyOfAdsorptionTerms (const EnthalpyOfAdsorptionTerms &a) noexcept=default
 
EnthalpyOfAdsorptionTermsoperator= (const EnthalpyOfAdsorptionTerms &a) noexcept=default
 
 EnthalpyOfAdsorptionTerms (const std::vector< std::size_t > swappableComponents, const std::vector< std::size_t > numberOfIntegerMolecules, double totalEnergy, double temperature)
 
bool operator== (EnthalpyOfAdsorptionTerms const &) const =default
 
EnthalpyOfAdsorptionTermsoperator+= (const EnthalpyOfAdsorptionTerms &b)
 
EnthalpyOfAdsorption compositeProperty () const
 

Public Attributes

std::size_t size
 
std::vector< std::size_t > swappableComponents
 
std::vector< double > totalEnergyTimesNumberOfMolecules
 
std::vector< std::vector< double > > numberOfMoleculesSquared
 
std::vector< double > numberOfMolecules
 
double temperature
 
double totalEnergy
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const EnthalpyOfAdsorptionTerms &p)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, EnthalpyOfAdsorptionTerms &p)
 

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