|
pele
Python energy landscape explorer
|
| add_energy_gradient(Array< double > x, Array< double > grad) | pele::BasePotential | [inline, virtual] |
| add_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess) | pele::BasePotential | [inline, virtual] |
| get_energy(Array< double > x) | pele::PythonPotential | [inline, virtual] |
| get_energy_gradient(Array< double > x, Array< double > grad) | pele::PythonPotential | [inline, virtual] |
| get_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess) | pele::BasePotential | [inline, virtual] |
| get_hessian(Array< double > x, Array< double > hess) | pele::BasePotential | [inline, virtual] |
| numerical_gradient(Array< double > x, Array< double > grad, double eps=1e-6) | pele::BasePotential | [inline, virtual] |
| numerical_hessian(Array< double > x, Array< double > hess, double eps=1e-6) | pele::BasePotential | [inline, virtual] |
| PythonPotential(PyObject *potential) | pele::PythonPotential | [inline] |
| ~BasePotential() | pele::BasePotential | [inline, virtual] |
| ~PythonPotential() | pele::PythonPotential | [inline, virtual] |
1.7.6.1