This is the complete list of members for madness::NemoBase, including all inherited members.

check_convergence(const std::vector< double > energies, const std::vector< double > oldenergies, const double bsh_norm, const double delta_density, const CalculationParameters &param, const double econv, const double dconv) const	madness::NemoBase	inline
compute_density(const std::vector< Function< T, NDIM > > nemo) const	madness::NemoBase	inline
compute_gradient(const real_function_3d &rhonemo, const Molecule &molecule) const	madness::NemoBase
compute_kinetic_energy(const std::vector< Function< T, NDIM > > &nemo) const	madness::NemoBase	inline
compute_kinetic_energy1(const std::vector< Function< T, NDIM > > &nemo) const	madness::NemoBase	inline
compute_kinetic_energy1a(const std::vector< Function< T, NDIM > > &nemo) const	madness::NemoBase	inline
compute_kinetic_energy2(const std::vector< Function< T, NDIM > > &nemo) const	madness::NemoBase	inline
construct_nuclear_correlation_factor(const Molecule &molecule, const std::shared_ptr< PotentialManager > pm, const std::pair< std::string, double > ncf_parameter)	madness::NemoBase	inline
get_ncf_ptr() const	madness::NemoBase	inline
gradient(const Tensor< double > &x)	madness::OptimizationTargetInterface	inlinevirtual
invalidate_factors_and_potentials()	madness::NemoBase	inlinevirtual
make_fock_operator() const	madness::NemoBase	inlinevirtual
molecule()	madness::MolecularOptimizationTargetInterface	inlinevirtual
ncf	madness::NemoBase
need_recompute_factors_and_potentials(const double thresh) const	madness::NemoBase	inlinevirtual
NemoBase(World &w)	madness::NemoBase	inline
normalize(std::vector< Function< T, NDIM > > &nemo, const Function< double, NDIM > metric=Function< double, NDIM >())	madness::NemoBase	inlinestatic
orthonormalize(std::vector< Function< T, NDIM > > &nemo, const Function< double, NDIM > metric=Function< double, NDIM >(), const double trantol=FunctionDefaults< NDIM >::get_thresh() *0.01) const	madness::NemoBase	inline
provides_gradient() const	madness::OptimizationTargetInterface	inlinevirtual
Q2(const Tensor< T > &s)	madness::NemoBase	inlinestatic
R	madness::NemoBase
R_square	madness::NemoBase
test_gradient(Tensor< double > &x, double value_precision, bool doprint=true)	madness::OptimizationTargetInterface
value(const Tensor< double > &x)=0	madness::OptimizationTargetInterface	pure virtual
value_and_gradient(const Tensor< double > &x, double &value, Tensor< double > &gradient)	madness::OptimizationTargetInterface	inlinevirtual
world	madness::NemoBase
~NemoBase()	madness::NemoBase	inlinevirtual
~OptimizationTargetInterface()	madness::OptimizationTargetInterface	inlinevirtual