RASPA3 3.0.12
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
EnergyInter Struct Referenceexport
module energy_status_inter
Collaboration diagram for EnergyInter:
Collaboration graph
[legend]

Public Member Functions

bool operator== (EnergyInter const &) const =default
 
void zero ()
 
void sumTotal ()
 
Potentials::EnergyFactor totalEnergyFactor () const
 
Potentials::EnergyFactor total () const
 
EnergyInter & operator+= (const EnergyInter &b)
 
EnergyInter & operator-= (const EnergyInter &b)
 
EnergyInter operator- () const
 

Public Attributes

std::uint64_t versionNumber {1}
 
Potentials::EnergyFactor VanDerWaals
 
Potentials::EnergyFactor VanDerWaalsTailCorrection
 
Potentials::EnergyFactor CoulombicReal
 
Potentials::EnergyFactor CoulombicFourier
 
Potentials::EnergyFactor totalInter
 

Friends

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