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mcpele
1.0.0
The Monte Carlo Python Energy Landscape Explorer
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| _distance | pele::BaseHarmonic | [protected] |
| _get_distance(const pele::Array< double > &x) | pele::HarmonicCOM | [inline, virtual] |
| _k | pele::BaseHarmonic | [protected] |
| _ndim | pele::BaseHarmonic | [protected] |
| _nparticles | pele::BaseHarmonic | [protected] |
| _origin | pele::BaseHarmonic | [protected] |
| 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] |
| BaseHarmonic(pele::Array< double > origin, double k, size_t ndim) | pele::BaseHarmonic | [inline, protected] |
| get_energy(pele::Array< double > x) | pele::BaseHarmonic | [inline, virtual] |
| get_energy_gradient(pele::Array< double > x, pele::Array< double > grad) | pele::BaseHarmonic | [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] |
| get_k() | pele::BaseHarmonic | [inline] |
| HarmonicCOM(pele::Array< double > origin, double k, size_t ndim) | pele::HarmonicCOM | [inline] |
| 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] |
| set_k(double newk) | pele::BaseHarmonic | [inline] |
| ~BaseHarmonic() | pele::BaseHarmonic | [inline, virtual] |
| ~BasePotential() | pele::BasePotential | [inline, virtual] |
1.7.6.1