8 #ifndef MOLECULARMECHANICS_DISPERSION_H
9 #define MOLECULARMECHANICS_DISPERSION_H
15 namespace MolecularMechanics {
30 double scalingFactor_;
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