Harmonic Bond. More...

#include <bonds.h>

Inheritance diagram for Faunus::pairpotential::HarmonicBond:

Collaboration diagram for Faunus::pairpotential::HarmonicBond:

Public Member Functions
Variant	type () const override

std::shared_ptr< BondData >	clone () const override

void	from_json (const json &j) override

void	to_json (json &j) const override

void	setEnergyFunction (const ParticleVector &particles) override
	Set energy and force functors. More...

	HarmonicBond (double k, double req, const std::vector< int > &indices)

Detailed Description

Harmonic Bond.

U(r) = k/2 * (r - r_eq)^2

Member Function Documentation

void Faunus::pairpotential::HarmonicBond::setEnergyFunction ( const ParticleVector & particles )

override

Set energy and force functors.

Parameters

particles Particle vector to all particles in the system

This sets both the energyFunc and forceFunc function objects for calculating the potential energy and the forces on the participating atoms

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