Struct InversePowerStillingerQuadCutInteraction

• Defined in File inversepower_stillinger_cut_quad.hpp

Inheritance Relationships

Base Type

• public pele::BaseInteraction (Struct BaseInteraction)

Struct Documentation

struct InversePowerStillingerQuadCutInteraction : public pele::BaseInteraction

Public Functions

inline InversePowerStillingerQuadCutInteraction(

const int pow,

const double v0,

const double cutoff_factor

)

inline virtual double energy(const double r2, const double cutoff) const

inline virtual double energy_gradient(

double r2,

double *gij,

const double cutoff

) const

inline virtual double energy_gradient_hessian(

const double r2,

double *gij,

double *hij,

const double cutoff

) const

Public Members

const int m_pow

const int m_pow_by_2

const double m_cutoff_factor

const double m_cutoff_factor2

const double c0

const double c2

const double c4

const double m_v0