RASPA3 3.0.12
A molecular simulation code for computing adsorption and diffusion in nanoporous materials
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energy_factor Module Reference

Classes

struct  Potentials::EnergyFactor
 Represents an energy factor with energy and its derivative with respect to lambda. More...
 

Functions

 EnergyFactor (double energy, double dUdlambda)
 Constructs an EnergyFactor with specified energy and derivative.
 
bool operator== (EnergyFactor const &) const =default
 
EnergyFactor & operator+= (const EnergyFactor &b)
 
EnergyFactor & operator-= (const EnergyFactor &b)
 
EnergyFactor operator- () const
 
EnergyFactor Potentials::operator+ (const EnergyFactor &a, const EnergyFactor &b)
 
EnergyFactor Potentials::operator- (const EnergyFactor &a, const EnergyFactor &b)
 
EnergyFactor Potentials::operator* (const EnergyFactor &a, const EnergyFactor &b)
 
EnergyFactor Potentials::operator* (const double &a, const EnergyFactor &b)
 
EnergyFactor Potentials::operator* (const EnergyFactor &a, const double &b)
 
EnergyFactor Potentials::operator/ (const EnergyFactor &a, const double &b)
 
EnergyFactor Potentials::sqrt (const EnergyFactor &a)
 

Variables

double energy
 The energy value.
 
double dUdlambda
 The derivative of energy with respect to lambda.
 

Files

file  src/raspakit/potentials/energy_factor.ixx