, 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< lj_interaction_cut_smooth > interaction, std::shared_ptr< periodic_distance< ndim > > dist, pele::Array< double > boxvec, double rcut, double ncellx_scale) | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline] |
get_energy(Array< double > x) | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline, virtual] |
get_energy_gradient(Array< double > x, Array< double > grad) | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline, virtual] |
get_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess) | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline, virtual] |
get_hessian(Array< double > x, Array< double > hess) | pele::BasePotential | [inline, virtual] |
LJCutPeriodicCellLists(double c6, double c12, double rcut, Array< double > const boxvec, double ncellx_scale) | pele::LJCutPeriodicCellLists< ndim > | [inline] |
m_cell_lists | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [protected] |
m_dist | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [protected] |
m_interaction | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [protected] |
m_ndim | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [protected, static] |
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] |
refresh_iterator(Array< double > x) | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline, protected] |
~BasePotential() | pele::BasePotential | [inline, virtual] |
~CellListPotential() | pele::CellListPotential< lj_interaction_cut_smooth, periodic_distance< ndim > > | [inline] |