Molecular Dynamics Simulation
1.0
src
physics
pairwiseforces
SmoothedLennardJonesForce.h
Go to the documentation of this file.
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#pragma once
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#include "
physics/pairwiseforces/PairwiseForceSource.h
"
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class
SmoothedLennardJonesForce
:
public
PairwiseForceSource
{
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public
:
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SmoothedLennardJonesForce
(
double
r_c
,
double
r_l
) :
r_c
(
r_c
),
r_l
(
r_l
){};
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std::array<double, 3UL>
calculateForce
(
const
Particle
& p,
const
Particle
& q)
const override
;
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explicit
operator
std::string()
const override
;
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private
:
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double
r_c
;
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double
r_l
;
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};
PairwiseForceSource.h
PairwiseForceSource
Interface for pairwise force source classes.
Definition:
PairwiseForceSource.h:16
Particle
Class to represent a particle.
Definition:
Particle.h:26
SmoothedLennardJonesForce
Class to calculate the smoothed Lennard-Jones force between particles. Implements the interface Pairw...
Definition:
SmoothedLennardJonesForce.h:13
SmoothedLennardJonesForce::SmoothedLennardJonesForce
SmoothedLennardJonesForce(double r_c, double r_l)
Construct a new SmoothedLennardJonesForce object.
Definition:
SmoothedLennardJonesForce.h:21
SmoothedLennardJonesForce::r_c
double r_c
the radius after which the force is 0
Definition:
SmoothedLennardJonesForce.h:43
SmoothedLennardJonesForce::calculateForce
std::array< double, 3UL > calculateForce(const Particle &p, const Particle &q) const override
Calculates the smoothed Lennard-Jones forces between two particles.
Definition:
SmoothedLennardJonesForce.cpp:6
SmoothedLennardJonesForce::r_l
double r_l
the radius whithin the normal Lennard-Jones force is applied. Between r_l and r_c the force is smooth...
Definition:
SmoothedLennardJonesForce.h:48
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