, 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] |
CellListPotential(std::shared_ptr< InversePower_interaction > interaction, std::shared_ptr< cartesian_distance< ndim > > dist, pele::Array< double > boxv, double rcut, double ncellx_scale) | pele::CellListPotential< InversePower_interaction, cartesian_distance< ndim > > | [inline] |
get_energy(Array< double > xa) | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline, virtual] |
get_energy_gradient(Array< double > xa, Array< double > grad) | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline, virtual] |
get_energy_gradient_hessian(Array< double > xa, Array< double > grad, Array< double > hess) | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline, virtual] |
get_hessian(Array< double > x, Array< double > hess) | pele::BasePotential | [inline, virtual] |
InversePowerCellLists(double pow, double eps, pele::Array< double > const radii, pele::Array< double > const boxvec, const double rcut, const double ncellx_scale=1.0) | pele::InversePowerCellLists< ndim > | [inline] |
m_dist | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [protected] |
m_interaction | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [protected] |
m_ndim | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [protected, static] |
m_pair_iter | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [protected] |
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] |
PairIteratorPotential(std::shared_ptr< InversePower_interaction > interaction, std::shared_ptr< cartesian_distance< ndim > > dist, std::shared_ptr< CellIter< cartesian_distance< ndim > > > pair_iter) | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline] |
refresh_iterator(Array< double > x) | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline, protected] |
~BasePotential() | pele::BasePotential | [inline, virtual] |
~CellListPotential() | pele::CellListPotential< InversePower_interaction, cartesian_distance< ndim > > | [inline, virtual] |
~PairIteratorPotential() | pele::PairIteratorPotential< InversePower_interaction, cartesian_distance< ndim >, CellIter< cartesian_distance< ndim > > > | [inline, virtual] |