Scine::Swoose  2.1.0
This is the SCINE module Swoose.
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Dispersion.h
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1 
8 #ifndef MOLECULARMECHANICS_DISPERSION_H
9 #define MOLECULARMECHANICS_DISPERSION_H
10 
12 #include <Utils/Typenames.h>
13 
14 namespace Scine {
15 namespace MolecularMechanics {
20 class Dispersion {
21  public:
23  Dispersion(double scalingFactor, double c6);
25  double getScalingFactor() const;
27  double getC6() const;
28 
29  private:
30  double scalingFactor_;
31  double c6_;
32 };
33 
34 } // namespace MolecularMechanics
35 } // namespace Scine
36 
37 #endif // MOLECULARMECHANICS_DISPERSION_H
double getC6() const
Getter for C6 coefficient.
Definition: Dispersion.cpp:20
Class treating a dispersion (D3-BJ) interaction, based solely on the bond length. (i...
Definition: Dispersion.h:20
double getScalingFactor() const
Getter for scaling factor.
Definition: Dispersion.cpp:16
Dispersion(double scalingFactor, double c6)
Constructor.
Definition: Dispersion.cpp:13