pele
Python energy landscape explorer
pele::RBPotentialWrapper Member List
This is the complete list of members for pele::RBPotentialWrapper, 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(pele::Array< double > rbcoords)pele::RBPotentialWrapper [inline, virtual]
get_energy_gradient(pele::Array< double > rbcoords, pele::Array< double > rbgrad)pele::RBPotentialWrapper [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]
RBPotentialWrapper(std::shared_ptr< BasePotential > potential, std::shared_ptr< RBTopology > top)pele::RBPotentialWrapper [inline]
~BasePotential()pele::BasePotential [inline, virtual]
 All Classes Namespaces Functions Variables Typedefs