pele::LJFrozen Member List

This is the complete list of members for pele::LJFrozen, including all inherited members.

_underlying_potential	pele::FrozenPotentialWrapper< LJ >	[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]
coords_converter	pele::FrozenPotentialWrapper< LJ >
FrozenPotentialWrapper(std::shared_ptr< LJ > potential, Array< double > const &reference_coords, Array< size_t > const &frozen_dof)	pele::FrozenPotentialWrapper< LJ >	[inline, protected]
get_energy(Array< double > reduced_coords)	pele::FrozenPotentialWrapper< LJ >	[inline, virtual]
get_energy_gradient(Array< double > reduced_coords, Array< double > reduced_grad)	pele::FrozenPotentialWrapper< LJ >	[inline, virtual]
get_energy_gradient_hessian(Array< double > reduced_coords, Array< double > reduced_grad, Array< double > reduced_hess)	pele::FrozenPotentialWrapper< LJ >	[inline, virtual]
get_hessian(Array< double > x, Array< double > hess)	pele::BasePotential	[inline, virtual]
LJFrozen(double C6, double C12, Array< double > const &reference_coords, Array< size_t > const &frozen_dof)	pele::LJFrozen	[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]
~BasePotential()	pele::BasePotential	[inline, virtual]
~FrozenPotentialWrapper()	pele::FrozenPotentialWrapper< LJ >	[inline]