pele
Python energy landscape explorer
pele::BasePotential Member List
This is the complete list of members for pele::BasePotential, including all inherited members.
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::BasePotential [inline, virtual]
get_energy_gradient(Array< double > x, Array< double > grad)pele::BasePotential [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]
~BasePotential()pele::BasePotential [inline, virtual]
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