LennardJonesRepulsiveForce Class Reference

Class to calculate the only the repulisve part of the Lennard-Jones force between particles. Implements the interface PairwiseForceSource. More...

#include <LennardJonesRepulsiveForce.h>

Inheritance diagram for LennardJonesRepulsiveForce:

Collaboration diagram for LennardJonesRepulsiveForce:

Public Member Functions
std::array< double, 3UL >	calculateForce (const Particle &p, const Particle &q) const override
	Calculates only the repulsive part of the Lennard-Jones forces between two particles. More...
	operator std::string () const override
	Returns "Lennard-Jones (Repulsive Only)" as name of the force. More...
Public Member Functions inherited from PairwiseForceSource
virtual	~PairwiseForceSource ()=default
	Virtual destructor for correct cleanup of derived classes. More...

Detailed Description

Class to calculate the only the repulisve part of the Lennard-Jones force between particles. Implements the interface PairwiseForceSource.

Implementation of the force calculation to simulate the repulsive part of Lennard-Jones forces between particles.

Definition at line 11 of file LennardJonesRepulsiveForce.h.

Member Function Documentation

calculateForce()

std::array< double, 3UL > LennardJonesRepulsiveForce::calculateForce ( const Particle &  p, const Particle &  q  ) const

overridevirtual

Calculates only the repulsive part of the Lennard-Jones forces between two particles.

Parameters

p	Particle
q	Particle

Returns

Repulsive Lennard-Jones force exerted by q on p

Calculates the Lennard-Jones force which q exerts on p

Implements PairwiseForceSource.

Definition at line 5 of file LennardJonesRepulsiveForce.cpp.

                                                                                                           {
    const auto displacement = q.getX() - p.getX();
    const double dist = ArrayUtils::L2Norm(displacement);
    const double sigma = (p.getSigma() + q.getSigma()) / 2;
 
    if (dist > std::pow(2, 1.0 / 6.0) * sigma) return std::array<double, 3UL>{0, 0, 0};
 
    const double epsilon = std::sqrt(p.getEpsilon() * q.getEpsilon());
 
    const auto f_lennard_jones =
        (24 * epsilon / (std::pow(dist, 2))) * (std::pow(sigma / dist, 6) - 2 * std::pow(sigma / dist, 12)) * displacement;
 
    return f_lennard_jones;
};

operator std::string()

LennardJonesRepulsiveForce::operator std::string ( ) const

explicitoverridevirtual

Returns "Lennard-Jones (Repulsive Only)" as name of the force.

Implements PairwiseForceSource.

Definition at line 20 of file LennardJonesRepulsiveForce.cpp.

{ return "Lennard-Jones (Repulsive Only)"; }

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

• LennardJonesRepulsiveForce.h
• LennardJonesRepulsiveForce.cpp