Finite Extensible Nonlinear Elastic (FENE) potential. More...

#include <potentials.h>

Inheritance diagram for Faunus::pairpotential::FENE:

Collaboration diagram for Faunus::pairpotential::FENE:

Public Member Functions
	FENE (const std::string &name="fene")

void	to_json (json &j) const override

double	operator() ([[maybe_unused]] const Particle &particle1, [[maybe_unused]] const Particle &particle2, double r2, [[maybe_unused]] const Point &b_towards_a) const override

Point	force ([[maybe_unused]] const Particle &particle_a, [[maybe_unused]] const Particle &particle_b, double squared_distance, const Point &b_towards_a) const override

Public Member Functions inherited from Faunus::pairpotential::PairPotential
virtual Point	force (const Particle &a, const Particle &b, double squared_distance, const Point &b_towards_a) const
	Force on particle a due to particle b. More...

virtual double	operator() (const Particle &particle_a, const Particle &particle_b, double squared_distance, const Point &b_towards_a) const =0
	Pair energy between two particles. More...

Additional Inherited Members
Public Attributes inherited from Faunus::pairpotential::PairPotential
std::string	name
	unique name per polymorphic call; used in FunctorPotential::combinePairPotentials

std::string	cite
	Typically a short-doi litterature reference.

bool	isotropic = true
	true if pair-potential is independent of particle orientation

std::function< double(const Particle &)>	selfEnergy = nullptr
	self energy of particle (kT)

Protected Member Functions inherited from Faunus::pairpotential::PairPotential
	PairPotential (std::string name=std::string(), std::string cite=std::string(), bool isotropic=true)

Detailed Description

Finite Extensible Nonlinear Elastic (FENE) potential.

This is an anharmonic bonding potential with the form:

\[ \beta u(r) = -\frac{k r_0^2}{2}\ln \left [ 1-(r/r_0)^2 \right ] \]

for \(r<r_0\), otherwise infinity. JSON keywords:

More info: doi:10.1103/PhysRevE.59.4248

The documentation for this class was generated from the following files:

Public Member Functions