Struct InversePowerStillinger_cut_interaction

• Defined in File inversepower_stillinger_cut.hpp

Inheritance Relationships

Base Type

• public pele::BaseInteraction (Struct BaseInteraction)

Struct Documentation

struct InversePowerStillinger_cut_interaction : public pele::BaseInteraction

Public Functions

inline InversePowerStillinger_cut_interaction(const size_t pow, const double rcut)

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

inline virtual double energy_gradient(double r2, double *gij, const double dij) const

inline virtual double energy_gradient_hessian(

double r2,

double *gij,

double *hij,

const double dij

) const

template<class T>
inline T power(const T inp, const size_t n) const

template<class T>
inline T power_inp2(const T inp2, const size_t n) const

Public Members

const double m_pow

const double m_rcut

const double m_rcut2

const double m_q0

const double m_q1

const double m_q2