#include <SCF_unrestricted.h>
SCF_unrestricted::SCF_unrestricted | ( | const Molecule & | molecule_, | |
const Molecule & | extraCharges_, | |||
const BasisInfoStruct & | basisInfo_, | |||
const BasisInfoStruct & | basisInfoDensFit_, | |||
const IntegralInfo & | integralInfo_, | |||
const char * | guessDmatFileName_, | |||
const JK::Params & | J_K_params_, | |||
const Dft::GridParams & | gridParams_, | |||
const SCF::Options & | scfopts, | |||
const SCF::MatOptions & | matOpts, | |||
ergo_real | threshold_integrals_1el_input, | |||
int | alpha_beta_diff_input | |||
) |
SCF_unrestricted::~SCF_unrestricted | ( | ) |
References SCF_general::DIIS.
void SCF_unrestricted::add_random_disturbance_to_starting_guess | ( | ) | [private, virtual] |
Implements SCF_general.
References add_disturbance_to_matrix(), SCF_general::basisInfo, densityMatrix_alpha, densityMatrix_beta, SCF::DISTURB_ELEMENT_MAX_COUNT, SCF::Options::disturbedElementIndexVector, do_output(), LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, BasisInfoStruct::noOfBasisFuncs, SCF::MatOptions::permutationHML, mat::FileWritable::readFromFile(), SCF_general::scfopts, SCF::Options::sg_disturb_specific_elements, SCF::Options::starting_guess_disturbance, and mat::FileWritable::writeToFile().
void SCF_unrestricted::add_to_DIIS_list | ( | ) | [private, virtual] |
void SCF_unrestricted::calculate_energy | ( | ) | [private, virtual] |
Implements SCF_general.
References densityMatrix_alpha, densityMatrix_beta, SCF_general::energy, SCF_general::energy_2el, SCF_general::H_core_Matrix, SCF_general::nuclearEnergy, mat::FileWritable::readFromFile(), mat::MatrixSymmetric< Treal, Tmatrix >::trace_ab(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::check_params | ( | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::clear_diis_list | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::DIIS.
void SCF_unrestricted::clear_error_matrices | ( | ) | [private, virtual] |
Implements SCF_general.
References mat::MatrixBase< Treal, Tmatrix >::clear(), ErrorMatrix_alpha, and ErrorMatrix_beta.
void SCF_unrestricted::combine_old_fock_matrices | ( | ergo_real | stepLength | ) | [private, virtual] |
void SCF_unrestricted::compute_dipole_moment | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, densityMatrix_alpha, densityMatrix_beta, do_output(), get_dipole_moment(), LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, SCF_general::molecule, SCF::MatOptions::permutationHML, mat::FileWritable::readFromFile(), SCF::MatOptions::size_block_info, and mat::FileWritable::writeToFile().
void SCF_unrestricted::create_gabedit_file | ( | ) | const [private, virtual] |
Implements SCF_general.
References do_output(), LOG_AREA_SCF, and LOG_CAT_WARNING.
void SCF_unrestricted::create_homo_eigvec_file | ( | ) | const [private, virtual] |
Implements SCF_general.
References do_output(), LOG_AREA_SCF, and LOG_CAT_WARNING.
void SCF_unrestricted::create_lumo_eigvec_file | ( | ) | const [private, virtual] |
Implements SCF_general.
References do_output(), LOG_AREA_SCF, and LOG_CAT_WARNING.
void SCF_unrestricted::create_mtx_files_D | ( | int const | scfIter | ) | [private, virtual] |
Implements SCF_general.
References SCF::Options::calculation_identifier, densityMatrix_alpha, densityMatrix_beta, do_output(), SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, SCF::Options::method_and_basis_set, mat::FileWritable::readFromFile(), SCF_general::scfopts, write_matrix_in_matrix_market_format(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::create_mtx_files_F | ( | int const | scfIter | ) | [private, virtual] |
Implements SCF_general.
References SCF::Options::calculation_identifier, do_output(), FockMatrix_alpha, FockMatrix_beta, SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, SCF::Options::method_and_basis_set, mat::FileWritable::readFromFile(), SCF_general::scfopts, write_matrix_in_matrix_market_format(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::disturb_dens_matrix | ( | ergo_real | subspaceError | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::disturb_dens_matrix_exact | ( | ergo_real | subspaceError | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::disturb_fock_matrix | ( | ergo_real | subspaceError | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::do_electron_dynamics | ( | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::do_mulliken_pop_stuff | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, mat::MatrixBase< Treal, Tmatrix >::clear(), densityMatrix_alpha, densityMatrix_beta, do_mulliken_atomic_charges(), do_mulliken_spin_densities(), do_output(), SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, SCF_general::molecule, SCF::MatOptions::permutationHML, mat::FileWritable::readFromFile(), SCF_general::S_symm, SCF::MatOptions::size_block_info, and mat::FileWritable::writeToFile().
void SCF_unrestricted::do_spin_flip | ( | int | atomCount | ) | [private, virtual] |
Implements SCF_general.
References mat::MatrixSymmetric< Treal, Tmatrix >::assignFromFull(), Molecule::atoms, BasisInfoStruct::basisFuncList, SCF_general::basisInfo, BasisFuncStruct_::centerCoords, Atom::coords, densityMatrix_alpha, densityMatrix_beta, do_output(), mat::MatrixSymmetric< Treal, Tmatrix >::fullMatrix(), SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, SCF_general::molecule, Molecule::noOfAtoms, BasisInfoStruct::noOfBasisFuncs, SCF::MatOptions::permutationHML, mat::FileWritable::readFromFile(), SCF_general::S_symm, mat::MatrixSymmetric< Treal, Tmatrix >::trace_ab(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::get_2e_part_and_energy | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, SCF_general::basisInfoDensFit, SCF_general::CAM_params, SCF_general::densfit_data, densityMatrix_alpha, densityMatrix_beta, do_output(), SCF_general::energy_2el, FockMatrix_alpha, FockMatrix_beta, SCF::Options::force_restricted, mat::MatrixSymmetric< Treal, Tmatrix >::frob_thresh(), G_alpha, G_beta, get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_sparse_unrestricted(), SCF_general::get_overlap_matrix(), SCF_general::gridParams, SCF_general::H_core_Matrix, SCF_general::integralInfo, SCF::MatOptions::inversePermutationHML, SCF_general::J_K_params, LOG_AREA_SCF, LOG_CAT_ERROR, SCF_general::matOpts, SCF_general::molecule, BasisInfoStruct::noOfBasisFuncs, SCF_general::noOfElectrons, SCF::MatOptions::permutationHML, printMat(), mat::FileWritable::readFromFile(), mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks(), SCF_general::scfopts, SCF::MatOptions::size_block_info, SCF::MatOptions::sparse_threshold, mat::transpose(), SCF::Options::use_dft, and mat::FileWritable::writeToFile().
void SCF_unrestricted::get_error_measure | ( | ) | [private, virtual] |
Implements SCF_general.
References compute_maxabs_sparse(), do_output(), ErrorMatrix_alpha, ErrorMatrix_beta, SCF_general::errorMeasure, mat::MatrixGeneral< Treal, Tmatrix >::frob(), LOG_AREA_SCF, and LOG_CAT_INFO.
void SCF_unrestricted::get_FDSminusSDF | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, compute_FDSminusSDF_sparse(), densityMatrix_alpha, densityMatrix_beta, do_output(), ErrorMatrix_alpha, ErrorMatrix_beta, FockMatrix_alpha, FockMatrix_beta, LOG_AREA_SCF, LOG_CAT_INFO, SCF_general::matOpts, BasisInfoStruct::noOfBasisFuncs, output_sparsity(), mat::FileWritable::readFromFile(), SCF_general::S_symm, SCF::MatOptions::sparse_threshold, and mat::FileWritable::writeToFile().
void SCF_unrestricted::get_Fock_matrices | ( | symmMatrix & | FockMatrix_a, | |
symmMatrix & | FockMatrix_b | |||
) |
References FockMatrix_alpha, FockMatrix_beta, mat::FileWritable::readFromFile(), and mat::FileWritable::writeToFile().
Referenced by es_run().
void SCF_unrestricted::get_new_density_matrix | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, mat::MatrixBase< Treal, Tmatrix >::clear(), compute_maxabs_sparse(), densityMatrix_alpha, densityMatrix_beta, SCF::Options::do_comparison_to_simple_purification, do_output(), SCF::Options::do_sparsity_investigation, SCF::Options::electronic_temperature, F_ort_prev_alpha, F_ort_prev_beta, FockMatrix_alpha, FockMatrix_beta, SCF::Options::gap_expected_lower_bound, get_dens_from_fock_general(), get_S2(), homoInterval_F_ort_prev_alpha, homoInterval_F_ort_prev_beta, homoInterval_Fprev_alpha, homoInterval_Fprev_beta, SCF_general::invCholFactor, SCF_general::invCholFactor_euclnorm, LOG_AREA_SCF, LOG_CAT_INFO, lumoInterval_F_ort_prev_alpha, lumoInterval_F_ort_prev_beta, lumoInterval_Fprev_alpha, lumoInterval_Fprev_beta, SCF_general::matOpts, BasisInfoStruct::noOfBasisFuncs, noOfElectrons_alpha, noOfElectrons_beta, SCF::Options::purification_create_m_files, SCF::Options::purification_eigvalue_err_limit, SCF::Options::purification_ignore_failure, SCF::Options::purification_maxmul, SCF::Options::purification_subspace_err_limit, SCF::Options::purification_truncation_norm, SCF::Options::purification_use_rand_perturbation_for_alleigsint, mat::FileWritable::readFromFile(), SCF_general::S_symm, SCF_general::scfopts, SCF::MatOptions::size_block_info, SCF::Options::sparsity_plots_resolution_m, mat::MatrixSymmetric< Treal, Tmatrix >::trace_ab(), SCF::Options::use_diag_on_error, SCF::Options::use_diagonalization, and mat::FileWritable::writeToFile().
void SCF_unrestricted::get_no_of_electrons | ( | int & | noOfElectrons_a, | |
int & | noOfElectrons_b | |||
) |
References noOfElectrons_alpha, and noOfElectrons_beta.
Referenced by es_run().
References densityMatrix_alpha, densityMatrix_beta, do_output(), LOG_AREA_SCF, LOG_CAT_ERROR, SCF_general::matOpts, noOfElectrons_alpha, noOfElectrons_beta, mat::FileWritable::readFromFile(), mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks(), SCF_general::S_symm, SCF::MatOptions::size_block_info, mat::MatrixGeneral< Treal, Tmatrix >::trace_ab(), and mat::FileWritable::writeToFile().
Referenced by get_new_density_matrix(), and report_final_results().
void SCF_unrestricted::get_starting_guess_density | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, densityMatrix_alpha, densityMatrix_beta, SCF::Options::do_comparison_to_simple_purification, do_output(), SCF::Options::do_sparsity_investigation, SCF::Options::electronic_temperature, SCF::Options::gap_expected_lower_bound, get_dens_from_fock_general(), get_diag_matrix_from_file(), get_simple_starting_guess_sparse(), SCF_general::guessDmatFileName, SCF_general::H_core_Matrix, SCF_general::integralInfo, SCF_general::invCholFactor, SCF_general::invCholFactor_euclnorm, load_density_and_project_sparse(), LOG_AREA_SCF, LOG_CAT_ERROR, LOG_CAT_INFO, SCF_general::matOpts, BasisInfoStruct::noOfBasisFuncs, noOfElectrons_alpha, noOfElectrons_beta, output_sparsity_symm(), SCF::MatOptions::permutationHML, SCF::Options::puri_eig_acc_factor_for_guess, SCF::Options::purification_create_m_files, SCF::Options::purification_eigvalue_err_limit, SCF::Options::purification_ignore_failure, SCF::Options::purification_maxmul, SCF::Options::purification_subspace_err_limit, SCF::Options::purification_truncation_norm, SCF::Options::purification_use_rand_perturbation_for_alleigsint, mat::FileWritable::readFromFile(), mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks(), SCF_general::S_symm, SCF_general::scfopts, SCF::MatOptions::size_block_info, SCF::MatOptions::sparse_threshold, SCF::Options::sparsity_plots_resolution_m, SCF::Options::starting_guess_spin_diff, SCF::Options::use_diag_guess_from_file, SCF::Options::use_diag_on_error_guess, SCF::Options::use_diagonalization, SCF::Options::use_simple_starting_guess, and mat::FileWritable::writeToFile().
void SCF_unrestricted::initialize_homo_lumo_limits | ( | ) | [private, virtual] |
void SCF_unrestricted::initialize_matrices | ( | ) | [private, virtual] |
Implements SCF_general.
References bestFockMatrixSoFar2_alpha, bestFockMatrixSoFar2_beta, bestFockMatrixSoFar_alpha, bestFockMatrixSoFar_beta, densityMatrix_alpha, densityMatrix_beta, Dprev_alpha, Dprev_beta, ErrorMatrix_alpha, ErrorMatrix_beta, F_ort_prev_alpha, F_ort_prev_beta, FockMatrix_alpha, FockMatrix_beta, Fprev_alpha, Fprev_beta, G_alpha, G_beta, SCF_general::matOpts, mat::MatrixBase< Treal, Tmatrix >::resetSizesAndBlocks(), and SCF::MatOptions::size_block_info.
void SCF_unrestricted::output_csr_matrices_for_gao | ( | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::output_density_images | ( | ) | [private, virtual] |
Implements SCF_general.
References Molecule::atoms, SCF_general::basisInfo, Atom::coords, densityMatrix_alpha, densityMatrix_beta, do_output(), mat::MatrixSymmetric< Treal, Tmatrix >::fullMatrix(), get_density(), get_no_of_primitives_for_density(), SCF::Options::image_view_axis, integrate_density_in_box_2(), SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_ERROR, LOG_CAT_INFO, SCF_general::matOpts, SCF_general::molecule, Molecule::noOfAtoms, BasisInfoStruct::noOfBasisFuncs, SCF::Options::output_density_images_boxwidth, mat::FileWritable::readFromFile(), SCF_general::scfopts, and mat::FileWritable::writeToFile().
void SCF_unrestricted::output_sparsity_S_F_D | ( | SCF_statistics & | stats | ) | [private, virtual] |
void SCF_unrestricted::report_density_difference | ( | ) | [private, virtual] |
void SCF_unrestricted::report_final_results | ( | ) | [private, virtual] |
Implements SCF_general.
References do_output(), get_S2(), LOG_AREA_SCF, and LOG_CAT_RESULTS.
void SCF_unrestricted::save_current_fock_as_fprev | ( | ) | [private, virtual] |
Implements SCF_general.
References FockMatrix_alpha, FockMatrix_beta, Fprev_alpha, Fprev_beta, mat::FileWritable::readFromFile(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::save_density_as_prevdens | ( | ) | [private, virtual] |
Implements SCF_general.
References densityMatrix_alpha, densityMatrix_beta, Dprev_alpha, Dprev_beta, mat::FileWritable::readFromFile(), and mat::FileWritable::writeToFile().
void SCF_unrestricted::save_final_potential | ( | ) | [private, virtual] |
Implements SCF_general.
References do_output(), LOG_AREA_SCF, and LOG_CAT_ERROR.
void SCF_unrestricted::save_full_matrices_for_matlab | ( | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::update_best_fock_so_far | ( | ) | [private, virtual] |
void SCF_unrestricted::update_subspace_diff | ( | ) | [private, virtual] |
Implements SCF_general.
void SCF_unrestricted::use_diis_to_get_new_fock_matrix | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::DIIS, do_output(), FockMatrix_alpha, FockMatrix_beta, mat::MatrixSymmetric< Treal, Tmatrix >::frob_thresh(), LOG_AREA_SCF, LOG_CAT_ERROR, SCF_general::matOpts, mat::FileWritable::readFromFile(), SCF::MatOptions::sparse_threshold, and mat::FileWritable::writeToFile().
void SCF_unrestricted::write_density_to_file | ( | ) | [private, virtual] |
Implements SCF_general.
References SCF_general::basisInfo, matrix_description_struct::colind, ddf_writeShellListAndDensityMatricesToFile_sparse(), densityMatrix_alpha, densityMatrix_beta, do_output(), mat::MatrixSymmetric< Treal, Tmatrix >::get_all_values(), SCF::MatOptions::inversePermutationHML, LOG_AREA_SCF, LOG_CAT_ERROR, SCF_general::matOpts, matrix_description_struct::nvalues, mat::MatrixSymmetric< Treal, Tmatrix >::nvalues(), mat::FileWritable::readFromFile(), matrix_description_struct::rowind, matrix_description_struct::values, and mat::FileWritable::writeToFile().
void SCF_unrestricted::write_diag_dens_to_file | ( | ) | [private, virtual] |
void SCF_unrestricted::write_matrices_to_file | ( | ) | [private, virtual] |
Implements SCF_general.
References bestFockMatrixSoFar2_alpha, bestFockMatrixSoFar2_beta, bestFockMatrixSoFar_alpha, bestFockMatrixSoFar_beta, Dprev_alpha, Dprev_beta, F_ort_prev_alpha, F_ort_prev_beta, FockMatrix_alpha, FockMatrix_beta, Fprev_alpha, Fprev_beta, and mat::FileWritable::writeToFile().
int SCF_unrestricted::alpha_beta_diff [private] |
Referenced by SCF_unrestricted().
Referenced by combine_old_fock_matrices(), initialize_matrices(), update_best_fock_so_far(), and write_matrices_to_file().
Referenced by combine_old_fock_matrices(), initialize_matrices(), update_best_fock_so_far(), and write_matrices_to_file().
Referenced by combine_old_fock_matrices(), initialize_matrices(), update_best_fock_so_far(), and write_matrices_to_file().
Referenced by combine_old_fock_matrices(), initialize_matrices(), update_best_fock_so_far(), and write_matrices_to_file().
Referenced by add_random_disturbance_to_starting_guess(), calculate_energy(), compute_dipole_moment(), create_mtx_files_D(), do_mulliken_pop_stuff(), do_spin_flip(), get_2e_part_and_energy(), get_FDSminusSDF(), get_new_density_matrix(), get_S2(), get_starting_guess_density(), initialize_matrices(), output_density_images(), output_sparsity_S_F_D(), report_density_difference(), save_density_as_prevdens(), write_density_to_file(), and write_diag_dens_to_file().
Referenced by add_random_disturbance_to_starting_guess(), calculate_energy(), compute_dipole_moment(), create_mtx_files_D(), do_mulliken_pop_stuff(), do_spin_flip(), get_2e_part_and_energy(), get_FDSminusSDF(), get_new_density_matrix(), get_S2(), get_starting_guess_density(), initialize_matrices(), output_density_images(), output_sparsity_S_F_D(), report_density_difference(), save_density_as_prevdens(), write_density_to_file(), and write_diag_dens_to_file().
symmMatrix SCF_unrestricted::Dprev_alpha [private] |
Referenced by initialize_matrices(), report_density_difference(), save_density_as_prevdens(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::Dprev_beta [private] |
Referenced by initialize_matrices(), report_density_difference(), save_density_as_prevdens(), and write_matrices_to_file().
Referenced by add_to_DIIS_list(), clear_error_matrices(), get_error_measure(), get_FDSminusSDF(), and initialize_matrices().
Referenced by add_to_DIIS_list(), clear_error_matrices(), get_error_measure(), get_FDSminusSDF(), and initialize_matrices().
symmMatrix SCF_unrestricted::F_ort_prev_alpha [private] |
Referenced by get_new_density_matrix(), initialize_matrices(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::F_ort_prev_beta [private] |
Referenced by get_new_density_matrix(), initialize_matrices(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::FockMatrix_alpha [private] |
Referenced by add_to_DIIS_list(), combine_old_fock_matrices(), create_mtx_files_F(), get_2e_part_and_energy(), get_FDSminusSDF(), get_Fock_matrices(), get_new_density_matrix(), initialize_matrices(), output_sparsity_S_F_D(), save_current_fock_as_fprev(), update_best_fock_so_far(), use_diis_to_get_new_fock_matrix(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::FockMatrix_beta [private] |
Referenced by add_to_DIIS_list(), combine_old_fock_matrices(), create_mtx_files_F(), get_2e_part_and_energy(), get_FDSminusSDF(), get_Fock_matrices(), get_new_density_matrix(), initialize_matrices(), output_sparsity_S_F_D(), save_current_fock_as_fprev(), update_best_fock_so_far(), use_diis_to_get_new_fock_matrix(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::Fprev_alpha [private] |
Referenced by initialize_matrices(), save_current_fock_as_fprev(), update_best_fock_so_far(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::Fprev_beta [private] |
Referenced by initialize_matrices(), save_current_fock_as_fprev(), update_best_fock_so_far(), and write_matrices_to_file().
symmMatrix SCF_unrestricted::G_alpha [private] |
Referenced by get_2e_part_and_energy(), and initialize_matrices().
symmMatrix SCF_unrestricted::G_beta [private] |
Referenced by get_2e_part_and_energy(), and initialize_matrices().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
Referenced by get_new_density_matrix(), and initialize_homo_lumo_limits().
int SCF_unrestricted::noOfElectrons_alpha [private] |
Referenced by get_new_density_matrix(), get_no_of_electrons(), get_S2(), get_starting_guess_density(), and SCF_unrestricted().
int SCF_unrestricted::noOfElectrons_beta [private] |
Referenced by get_new_density_matrix(), get_no_of_electrons(), get_S2(), get_starting_guess_density(), and SCF_unrestricted().