q3::UltrasoftPlanewaveEffectivePotential Member List

This is the complete list of members for q3::UltrasoftPlanewaveEffectivePotential, including all inherited members.

add_per_atom_d_terms(const std::vector< std::vector< Real > > &terms_by_atom)	q3::UltrasoftPlanewaveEffectivePotential	inline
add_per_atom_d_terms_for_spin(int spin, const std::vector< std::vector< Real > > &terms)	q3::UltrasoftPlanewaveEffectivePotential	inline
basis() const	q3::PlanewaveEffectivePotential	inline
cached_structure_factors() const	q3::UltrasoftPlanewaveEffectivePotential	inline
charge_density_reciprocal()	q3::PlanewaveEffectivePotential	inline
charge_density_reciprocal() const	q3::PlanewaveEffectivePotential	inline
compute(const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis, const UltrasoftPlanewaveBasis &ultrasoft_pseudopotential_basis, const std::vector< Complex > &total_potential_g)	q3::UltrasoftPlanewaveEffectivePotential	inline
compute_by_spin(const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis, const UltrasoftPlanewaveBasis &ultrasoft_pseudopotential_basis, const std::vector< std::vector< Complex > > &total_potential_g_by_spin)	q3::UltrasoftPlanewaveEffectivePotential	inline
effective_d_matrix_	q3::UltrasoftPlanewaveEffectivePotential	protected
effective_d_matrix_by_spin_	q3::UltrasoftPlanewaveEffectivePotential	protected
element(int atom_index, int projector_index_i, int projector_index_j, int spin=0) const	q3::UltrasoftPlanewaveEffectivePotential	inline
exchange_correlation_energy	q3::PlanewaveEffectivePotential
exchange_correlation_potential_energy	q3::PlanewaveEffectivePotential
exchange_correlation_reciprocal_space_data()	q3::PlanewaveEffectivePotential	inline
exchange_correlation_reciprocal_space_data() const	q3::PlanewaveEffectivePotential	inline
grid_size() const	q3::PlanewaveEffectivePotential	inline
hartree_energy	q3::PlanewaveEffectivePotential
initialize_kinetic_potential()	q3::PlanewaveEffectivePotential	inline
is_initialized() const	q3::UltrasoftPlanewaveEffectivePotential	inline
is_spin_polarized() const	q3::SpinResolvedEntity	inline
kinetic_potential_data()	q3::PlanewaveEffectivePotential	inline
kinetic_potential_data() const	q3::PlanewaveEffectivePotential	inline
log_summary() const	q3::PlanewaveEffectivePotential	inline
number_of_spin_components() const	q3::SpinResolvedEntity	inline
number_of_spin_components_	q3::SpinResolvedEntity	protected
PlanewaveEffectivePotential()=default	q3::NormConservingPlanewaveEffectivePotential
PlanewaveEffectivePotential(const PlanewaveBasis &basis, int number_of_spin_components)	q3::NormConservingPlanewaveEffectivePotential	inlineexplicit
precompute_structure_factors(const Crystal &crystal_structure, const PlanewaveBasis &planewave_basis)	q3::UltrasoftPlanewaveEffectivePotential	inline
real_space_by_spin_index(int spin_index)	q3::PlanewaveEffectivePotential	inline
real_space_by_spin_index(int spin_index) const	q3::PlanewaveEffectivePotential	inline
real_space_data_	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	protected
real_space_representation() const	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	inline
real_space_representation()	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	inline
reciprocal_space_data_	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	protected
reciprocal_space_representation() const	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	inline
reciprocal_space_representation()	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	inline
to_real_space() override	q3::PlanewaveEffectivePotential	inlinevirtual
to_reciprocal_space() override	q3::PlanewaveEffectivePotential	inlinevirtual
UltrasoftPlanewaveEffectivePotential()=default	q3::UltrasoftPlanewaveEffectivePotential
~EffectivePotential()=default	q3::EffectivePotential	virtual
~FFTransformable()=default	q3::FFTransformable< SpinResolvedPotentialGrid, PotentialReciprocalCoefficients >	virtual
~NormConservingPlanewaveEffectivePotential() override=default	q3::NormConservingPlanewaveEffectivePotential	virtual
~SpinResolvedEntity()=default	q3::SpinResolvedEntity	virtual