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pele
Python energy landscape explorer
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| _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] |
1.7.6.1