pele
Python energy landscape explorer
|
_eps | pele::InversePower_interaction | |
_pow | pele::InversePower_interaction | |
_radii | pele::InversePower_interaction | |
energy(double r2, size_t atomi, size_t atomj) const | pele::InversePower_interaction | [inline] |
energy_gradient(double r2, double *gij, size_t atomi, size_t atomj) const | pele::InversePower_interaction | [inline] |
energy_gradient_hessian(double r2, double *gij, double *hij, size_t atomi, size_t atomj) const | pele::InversePower_interaction | [inline] |
InversePower_interaction(double pow, double eps, Array< double > const radii) | pele::InversePower_interaction | [inline] |