RASPA3 3.0.28
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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AverageEnergyType Struct Referenceexport

Public Member Functions

AverageEnergyType & operator+= (const AverageEnergyType &b)
 
AverageEnergyType & operator-= (const AverageEnergyType &b)
 

Public Attributes

double totalEnergy
 
double VanDerWaalsEnergy
 
double CoulombEnergy
 
double polarizationEnergy
 

Friends

Archive< std::ofstream > & operator<< (Archive< std::ofstream > &archive, const AverageEnergyType &vec)
 
Archive< std::ifstream > & operator>> (Archive< std::ifstream > &archive, AverageEnergyType &vec)
 

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