, including all inherited members.
_atoms1 | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected] |
_atoms2 | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected] |
_dist | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected] |
_interaction | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected] |
_ndim | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected, static] |
_one_list | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [protected] |
add_energy_gradient(Array< double > x, Array< double > grad) | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [inline, virtual] |
add_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess) | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [inline, virtual] |
AtomListPotential(std::shared_ptr< lj_interaction_cut_smooth > interaction, std::shared_ptr< periodic_distance< 3 > > dist, Array< size_t > &atoms1, Array< size_t > &atoms2) | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [inline, protected] |
AtomListPotential(std::shared_ptr< lj_interaction_cut_smooth > interaction, std::shared_ptr< periodic_distance< 3 > > dist, Array< size_t > &atoms1) | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [inline, protected] |
get_energy(Array< double > x) | pele::AtomListPotential< lj_interaction_cut_smooth, periodic_distance< 3 > > | [inline, virtual] |
get_energy_gradient(Array< double > x, Array< double > grad) | pele::BasePotential | [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] |
LJCutPeriodicAtomList(double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1, Array< size_t > atoms2) | pele::LJCutPeriodicAtomList | [inline] |
LJCutPeriodicAtomList(double C6, double C12, double rcut, pele::Array< double > boxvec, Array< size_t > atoms1) | pele::LJCutPeriodicAtomList | [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] |