Template Struct InverseHalfIntPowerHS_interaction#
Defined in File inversepower_hs.hpp
Inheritance Relationships#
Base Type#
public pele::BaseInteraction(Struct BaseInteraction)
Struct Documentation#
-
template<int POW2>
struct InverseHalfIntPowerHS_interaction : public pele::BaseInteraction# Public Functions
-
inline InverseHalfIntPowerHS_interaction(double eps, double sca)#
-
inline virtual double energy(double r2, const double dij_hs) const#
- inline virtual double energy_gradient(
- double r2,
- double *gij,
- const double dij_hs
- inline virtual double energy_gradient_hessian(
- double r2,
- double *gij,
- double *hij,
- const double dij_hs
-
inline InverseHalfIntPowerHS_interaction(double eps, double sca)#