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q3::PlanewaveSubspaceManager Member List

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

apply_preconditioner(int number_of_bands, int number_of_plane_waves, const Real *kinetic_energy_squared, const Real *eigenvalues, const std::vector< bool > &band_converged, Complex *residual_wavefunctions)=0q3::PlanewaveSubspaceManagerpure virtual
build_correction_vectors(int basis_size, int number_of_plane_waves, int number_of_bands, int maximum_candidates, bool is_gamma_only, const Complex *eigenvector_matrix, int eigenvector_leading_dimension, const Real *eigenvalues, const std::vector< bool > &band_converged, const Real *kinetic_energy_squared, const Complex *hamiltonian_basis_vectors, const Complex *overlap_basis_vectors, Complex *correction_columns)=0q3::PlanewaveSubspaceManagerpure virtual
collapse_subspace(int basis_size, int number_of_plane_waves, int number_of_bands, int maximum_basis_size, bool is_gamma_only, bool is_identity_overlap, const OverlapOperator *overlap_operator, const Complex *subspace_hamiltonian, const Complex *subspace_overlap, Complex *basis_vectors, Complex *hamiltonian_basis_vectors, Complex *overlap_basis_vectors, Complex *rotation_scratch)=0q3::PlanewaveSubspaceManagerpure virtual
diagonalize_subspace(int basis_size, int maximum_basis_size, bool is_gamma_only, const Complex *subspace_hamiltonian, const Complex *subspace_overlap, Real *eigenvalues, Complex *eigenvector_matrix)=0q3::PlanewaveSubspaceManagerpure virtual
extract_eigenvectors(int basis_size, int number_of_plane_waves, int number_of_bands, int kpoint_index_state, bool is_gamma_only, const Complex *eigenvector_matrix, const Complex *basis_vectors, const Real *eigenvalues, Complex *rotated_scratch, PlanewaveKohnShamQuantumSystem &quantum_system)=0q3::PlanewaveSubspaceManagerpure virtual
orthogonalize_batch(int starting_vector_index, int number_of_candidates, int number_of_plane_waves, bool is_gamma_only, const OverlapOperator *overlap_operator, Complex *basis_vectors, Complex *overlap_basis_vectors)=0q3::PlanewaveSubspaceManagerpure virtual
set_gamma_origin_is_local(bool origin_is_local)=0q3::PlanewaveSubspaceManagerpure virtual
update_subspace_matrices(int start_column, int new_columns, int total_basis_size, int maximum_basis_size, int number_of_plane_waves, bool is_gamma_only, const Complex *basis_vectors, const Complex *hamiltonian_basis_vectors, const Complex *overlap_basis_vectors, Complex *subspace_hamiltonian, Complex *subspace_overlap)=0q3::PlanewaveSubspaceManagerpure virtual
~PlanewaveSubspaceManager()=defaultq3::PlanewaveSubspaceManagervirtual