Struct InversePowerStillinger_interaction#

Defined in File inversepower_stillinger.hpp

Inheritance Relationships#

Base Type#

public pele::BaseInteraction (Struct BaseInteraction)

Struct Documentation#

struct InversePowerStillinger_interaction : public pele::BaseInteraction #

Public Functions

inline InversePowerStillinger_interaction(const size_t pow)#

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#