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

Public Member Functions

 PropertyPressure (std::size_t numberOfBlocks)
 
bool operator== (PropertyPressure const &) const =default
 
void addSample (std::size_t blockIndex, double idealGasPressureValue, double3x3 excessPressureValue, double weight)
 
double3x3 averagedExcessPressureTensor (std::size_t blockIndex) const
 
double3x3 averagedExcessPressureTensor () const
 
std::pair< double3x3, double3x3 > averageExcessPressureTensor () const
 
double3x3 averagedIdealGasPressureTensor (std::size_t blockIndex) const
 
double3x3 averagedIdealGasPressureTensor () const
 
std::pair< double3x3, double3x3 > averageIdealGasPressureTensor () const
 
double3x3 averagedPressureTensor (std::size_t blockIndex) const
 
std::pair< double3x3, double3x3 > averagePressureTensor () const
 
double averagedExcessPressure (std::size_t blockIndex) const
 
double averagedExcessPressure () const
 
std::pair< double, double > averageExcessPressure () const
 
double averagedIdealGasPressure (std::size_t blockIndex) const
 
double averagedIdealGasPressure () const
 
std::pair< double, double > averageIdealGasPressure () const
 
double averagedPressure (std::size_t blockIndex) const
 
std::pair< double, double > averagePressure () const
 
std::string writeAveragesStatistics () const
 
nlohmann::json jsonAveragesStatistics () const
 

Public Attributes

std::uint64_t versionNumber {1}
 
std::size_t numberOfBlocks
 
std::vector< std::pair< double3x3, double > > bookKeepingExcessPressure
 
std::vector< std::pair< double, double > > bookKeepingIdealGasPressure
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const PropertyPressure &e)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, PropertyPressure &e)
 

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