Wrapper for external CoulombGalore library. More...

#include <potentials.h>

Inheritance diagram for Faunus::pairpotential::NewCoulombGalore:

Collaboration diagram for Faunus::pairpotential::NewCoulombGalore:

Public Member Functions
	NewCoulombGalore (const std::string &="coulomb")

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

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

void	to_json (json &j) const override

double	dielectric_constant (double M2V)

const CoulombGalore::Splined &	getCoulombGalore () const
	Access to full coulomb galore class.

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...

Public Attributes
double	bjerrum_length

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
virtual void	setSelfEnergy ()

void	from_json (const json &j) override

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

Detailed Description

Wrapper for external CoulombGalore library.

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

Public Member Functions