Molecular Dynamics Simulation  1.0
SmoothedLennardJonesForce.h
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1 #pragma once
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4 
14  public:
21  SmoothedLennardJonesForce(double r_c, double r_l) : r_c(r_c), r_l(r_l){};
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32  std::array<double, 3UL> calculateForce(const Particle& p, const Particle& q) const override;
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37  explicit operator std::string() const override;
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39  private:
43  double r_c;
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48  double r_l;
49 };
Interface for pairwise force source classes.
Class to represent a particle.
Definition: Particle.h:26
Class to calculate the smoothed Lennard-Jones force between particles. Implements the interface Pairw...
SmoothedLennardJonesForce(double r_c, double r_l)
Construct a new SmoothedLennardJonesForce object.
double r_c
the radius after which the force is 0
std::array< double, 3UL > calculateForce(const Particle &p, const Particle &q) const override
Calculates the smoothed Lennard-Jones forces between two particles.
double r_l
the radius whithin the normal Lennard-Jones force is applied. Between r_l and r_c the force is smooth...