, 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< sf_HS_WCA_interaction > interaction, std::shared_ptr< periodic_distance< ndim > > dist, pele::Array< double > boxv, double rcut, double ncellx_scale) | pele::CellListPotential< sf_HS_WCA_interaction, periodic_distance< ndim > > | [inline] |
| get_energy(Array< double > xa) | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline, virtual] |
| get_energy_gradient(Array< double > xa, Array< double > grad) | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline, virtual] |
| get_energy_gradient_hessian(Array< double > xa, Array< double > grad, Array< double > hess) | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline, virtual] |
| get_hessian(Array< double > x, Array< double > hess) | pele::BasePotential | [inline, virtual] |
| get_nr_unique_pairs() const | pele::HS_WCAPeriodicCellLists< ndim > | [inline] |
| HS_WCAPeriodicCellLists(double eps, double sca, Array< double > radii, Array< double > const boxvec, const double rcut, const double ncellx_scale=1.0) | pele::HS_WCAPeriodicCellLists< ndim > | [inline] |
| m_dist | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [protected] |
| m_interaction | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [protected] |
| m_ndim | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [protected, static] |
| m_pair_iter | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_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< sf_HS_WCA_interaction > interaction, std::shared_ptr< periodic_distance< ndim > > dist, std::shared_ptr< CellIter< periodic_distance< ndim > > > pair_iter) | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline] |
| refresh_iterator(Array< double > x) | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline, protected] |
| ~BasePotential() | pele::BasePotential | [inline, virtual] |
| ~CellListPotential() | pele::CellListPotential< sf_HS_WCA_interaction, periodic_distance< ndim > > | [inline, virtual] |
| ~PairIteratorPotential() | pele::PairIteratorPotential< sf_HS_WCA_interaction, periodic_distance< ndim >, CellIter< periodic_distance< ndim > > > | [inline, virtual] |
1.7.6.1
