| Cdetail::actual_object_comparator< BasicJsonType > | |
| Cadl_serializer< ValueType, typename > | Namespace for Niels Lohmann |
| Csirius::angular_momentum | Angular momentum quantum number |
| Csirius::any_ptr | Handle deallocation of a poiniter to an object of any type |
| ►Cstd::array | |
| Csirius::r3::vector< double > | |
| Csirius::Smooth_periodic_vector_function< T > | Vector of the smooth periodic functions |
| Csirius::Spheric_vector_function< domain_t, T > | 3D vector function |
| Csirius::fft::Grid | Helper class to create FFT grids of given sizes and compute indices in space- and frequency domains |
| Csirius::r3::vector< T > | Simple implementation of 3d vector |
| Csirius::Atom | Data and methods specific to the actual atom in the unit cell |
| Csirius::atom_index_t | |
| Csirius::Atom_symmetry_class | Data and methods specific to the symmetry class of the atom |
| Csirius::atom_symmetry_class_index_t | |
| Csirius::Atom_type | Defines the properties of atom type |
| ►Csirius::Atom_type_base | Base class for sirius::Atom_type and sirius::Free_atom classes |
| Csirius::Free_atom | Full potential free atom solver |
| Csirius::atom_type_index_t | |
| Catomic_level_descriptor | Describes single atomic level |
| Csirius::Augmentation_operator | Augmentation charge operator Q(r) of the ultrasoft pseudopotential formalism |
| Csirius::mixer::mixer_impl::Axpy< FUNC_REVERSE_INDEX, FUNCS > | |
| Csirius::mixer::mixer_impl::Axpy< 0, FUNCS... > | |
| ►CB | |
| Cdetail::conjunction< B > | |
| Csirius::wf::band_range | Describe a range of bands |
| Csirius::basic_index_t< T > | Basic index type |
| Csirius::basis_function_index_descriptor | |
| Csirius::basis_functions_index | A helper class to establish various index mappings for the atomic basis functions |
| Csirius::beta_chunk_t | Describe chunk of beta-projectors for a block of atoms |
| Csirius::beta_desc_idx | Named index of a descriptor of beta-projectors. The same order is used by the GPU kernel |
| Csirius::Beta_projector_generator< T > | |
| ►Csirius::Beta_projectors_base< T > | Base class for beta-projectors, gradient of beta-projectors and strain derivatives of beta-projectors |
| Csirius::Beta_projectors< T > | Stores <G+k | beta> expansion |
| Csirius::Beta_projectors_gradient< T > | Compute gradient of beta-projectors over atomic positions \( d \langle {\bf G+k} | \beta \rangle / d \tau_{\alpha} \) |
| Csirius::Beta_projectors_strain_deriv< T > | |
| Csirius::Beta_projectors_base< double > | |
| Csirius::beta_projectors_coeffs_t< T > | Stores a chunk of the beta-projector and metadata |
| Cdetail::binary_reader< BasicJsonType, InputAdapterType, SAX > | Deserialization of CBOR, MessagePack, and UBJSON values |
| Cdetail::binary_writer< BasicJsonType, CharType > | Serialization to CBOR and MessagePack values |
| ►CBinaryType | |
| Cbyte_container_with_subtype< BinaryType > | Internal type for a backed binary type |
| Csirius::la::BLACS_grid | BLACS grid wrapper |
| Csirius::mpi::block_data_descriptor | |
| ►Cbool_constant | |
| Cdetail::is_c_string< T > | |
| Cdetail::is_transparent< T > | |
| Cdetail::dtoa_impl::boundaries | |
| Cdetail::dtoa_impl::cached_power | |
| Csirius::callback_functions_t | Store all callback functions in one place |
| Csirius::cmd_args | Simple command line arguments handler |
| Csirius::smearing::cold | |
| Csirius::mpi::Communicator | MPI communicator wrapper |
| ►Csirius::config_t | |
| Csirius::Config | |
| Csirius::la::constant< T > | |
| Cdetail::container_input_adapter_factory_impl::container_input_adapter_factory< ContainerType, Enable > | |
| Cdetail::container_input_adapter_factory_impl::container_input_adapter_factory< ContainerType, void_t< decltype(begin(std::declval< ContainerType >()), end(std::declval< ContainerType >()))> > | |
| Csirius::config_t::control_t | Control parameters |
| Csirius::mixer::mixer_impl::Copy< FUNC_REVERSE_INDEX, FUNCS > | |
| Csirius::mixer::mixer_impl::Copy< 0, FUNCS... > | |
| Csirius::Crystal_symmetry | Representation of the crystal symmetry |
| Csirius::CUDA_timer | |
| Csirius::CUDA_timers_wrapper | |
| Csirius::davidson_result_t | Result of Davidson solver |
| Csirius::density_matrix_t | |
| Cdetail::detector< Default, AlwaysVoid, Op, Args > | |
| Cdetail::detector< Default, void_t< Op< Args... > >, Op, Args... > | |
| Csirius::wf::device_memory_guard | Helper class to allocate and copy wave-functions to/from device |
| Csirius::DFT_ground_state | The whole DFT ground state implementation |
| Csirius::diagonalize_result_t | |
| ►Csirius::DiagonalPreconditioner< numeric_t > | |
| Csirius::Teter< numeric_t > | |
| Cdetail::dtoa_impl::diyfp | |
| ►Csirius::la::Eigensolver | Interface to different eigen-solvers |
| Csirius::la::Eigensolver_cuda | |
| Csirius::la::Eigensolver_dlaf | |
| Csirius::la::Eigensolver_elpa | |
| Csirius::la::Eigensolver_lapack | |
| Csirius::la::Eigensolver_magma | |
| Csirius::la::Eigensolver_magma_gpu | |
| Csirius::la::Eigensolver_scalapack | |
| ►Cnlcglib::EnergyBase | |
| Csirius::Energy | Kohn-Sham energy |
| ►Cstd::exception | |
| ►Cdetail::exception | General exception of the basic_json class |
| Cdetail::invalid_iterator | Exception indicating errors with iterators |
| Cdetail::other_error | Exception indicating other library errors |
| Cdetail::out_of_range | Exception indicating access out of the defined range |
| Cdetail::parse_error | Exception indicating a parse error |
| Cdetail::type_error | Exception indicating executing a member function with a wrong type |
| Cdetail::utility_internal::Extend< Seq, SeqSize, Rem > | |
| Cdetail::utility_internal::Extend< integer_sequence< T, Ints... >, SeqSize, 0 > | |
| Cdetail::utility_internal::Extend< integer_sequence< T, Ints... >, SeqSize, 1 > | |
| Cdetail::external_constructor< value_t > | |
| Cdetail::external_constructor< value_t::array > | |
| Cdetail::external_constructor< value_t::binary > | |
| Cdetail::external_constructor< value_t::boolean > | |
| Cdetail::external_constructor< value_t::number_float > | |
| Cdetail::external_constructor< value_t::number_integer > | |
| Cdetail::external_constructor< value_t::number_unsigned > | |
| Cdetail::external_constructor< value_t::object > | |
| Cdetail::external_constructor< value_t::string > | |
| ►Cstd::false_type | |
| Cdetail::has_from_json< BasicJsonType, T, typename > | |
| Cdetail::has_non_default_from_json< BasicJsonType, T, typename > | |
| Cdetail::has_to_json< BasicJsonType, T, typename > | |
| Cdetail::is_basic_json< typename > | |
| Cdetail::is_comparable< Compare, A, B, typename > | |
| ►Cdetail::is_compatible_array_type_impl< BasicJsonType, CompatibleArrayType, typename > | |
| Cdetail::is_compatible_array_type< BasicJsonType, CompatibleArrayType > | |
| ►Cdetail::is_compatible_integer_type_impl< RealIntegerType, CompatibleNumberIntegerType, typename > | |
| Cdetail::is_compatible_integer_type< RealIntegerType, CompatibleNumberIntegerType > | |
| ►Cdetail::is_compatible_object_type_impl< BasicJsonType, CompatibleObjectType, typename > | |
| Cdetail::is_compatible_object_type< BasicJsonType, CompatibleObjectType > | |
| ►Cdetail::is_compatible_type_impl< BasicJsonType, CompatibleType, typename > | |
| Cdetail::is_compatible_type< BasicJsonType, CompatibleType > | |
| Cdetail::is_complete_type< T, typename > | |
| ►Cdetail::is_constructible_array_type_impl< BasicJsonType, ConstructibleArrayType, typename > | |
| Cdetail::is_constructible_array_type< BasicJsonType, ConstructibleArrayType > | |
| ►Cdetail::is_constructible_object_type_impl< BasicJsonType, ConstructibleObjectType, typename > | |
| Cdetail::is_constructible_object_type< BasicJsonType, ConstructibleObjectType > | |
| Cdetail::is_constructible_tuple< T1, T2 > | |
| Cdetail::is_iterator_traits< T, typename > | |
| Cdetail::is_json_iterator_of< BasicJsonType, T > | |
| Cdetail::is_json_ref< typename > | |
| Cdetail::is_specialization_of< Primary, T > | |
| Csirius::smearing::fermi_dirac | |
| Csirius::ffmt | Floating-point formatting (precision and width) |
| ►Csirius::Field4D | Four-component function consisting of scalar and vector parts |
| Csirius::Density | Generate charge density and magnetization from occupied spinor wave-functions |
| Csirius::Potential | Generate effective potential from charge density and magnetization |
| Cdetail::file_input_adapter | |
| Csirius::Force | Compute atomic forces |
| Cdetail::from_json_fn | |
| Csirius::mixer::FunctionProperties< FUNC > | Describes operations on a function type used for mixing |
| Csirius::Gaunt_coefficients< T > | Compact storage of non-zero Gaunt coefficients \( \langle \ell_1 m_1 | \ell_3 m_3 | \ell_2 m_2 \rangle \) |
| Csirius::gaunt_L1_L2< T > | Used in the {lm1, lm2, coefficient} : {lm3} way of grouping non-zero Gaunt coefficients |
| Csirius::gaunt_L3< T > | Used in the {lm1, lm2} : {lm3, coefficient} way of grouping non-zero Gaunt coefficients |
| Csirius::smearing::gaussian | |
| Cdetail::utility_internal::Gen< T, N > | |
| Cdetail::utility_internal::Gen< T, 0 > | |
| Csirius::GPU_Complex< T > | Helper type traits to template kernel function |
| Csirius::GPU_Complex< double > | |
| Csirius::GPU_Complex< float > | |
| Csirius::mpi::Grid | MPI grid interface |
| Csirius::fft::Gvec | A set of G-vectors for FFTs and G+k basis functions |
| Csirius::fft::Gvec_fft | Stores information about G-vector partitioning between MPI ranks for the FFT transformation |
| Csirius::fft::Gvec_shells | Helper class to manage G-vector shells and redistribute G-vectors for symmetrization |
| Csirius::Hamiltonian0< T > | Represent the k-point independent part of Hamiltonian |
| Csirius::Hamiltonian0< double > | |
| Csirius::Hamiltonian_k< T > | Representation of Kohn-Sham Hamiltonian |
| Csirius::Hamiltonian_k< double > | |
| Cdetail::has_from_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > > | |
| Cdetail::has_non_default_from_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > > | |
| Cdetail::has_to_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > > | |
| Cstd::hash< nlohmann::NLOHMANN_BASIC_JSON_TPL > | Hash value for JSON objects |
| Csirius::hbar | Horisontal bar |
| Csirius::HDF5_tree::HDF5_attribute | |
| Csirius::HDF5_tree::HDF5_dataset | Auxiliary class to handle HDF5 Dataset object |
| Csirius::HDF5_tree::HDF5_dataspace | Auxiliary class to handle HDF5 Dataspace object |
| Csirius::HDF5_tree::HDF5_group | Auxiliary class to handle HDF5 Group object |
| Csirius::HDF5_tree | Interface to the HDF5 library |
| Csirius::hdf5_type_wrapper< T > | |
| Csirius::hdf5_type_wrapper< double > | |
| Csirius::hdf5_type_wrapper< float > | |
| Csirius::hdf5_type_wrapper< int > | |
| Csirius::hdf5_type_wrapper< uint8_t > | |
| Cvcsqnm::hlist_space::HistoryList | |
| Csirius::Hubbard | Apply Hubbard correction in the collinear case |
| ►Csirius::Hubbard_matrix | Describes Hubbard orbital occupancy or potential correction matrices |
| Csirius::Occupation_matrix | |
| Csirius::hubbard_orbital_descriptor | Structure containing all information about a specific hubbard orbital (including the radial function) |
| Csirius::config_t::hubbard_t | Hubbard U correction |
| Csirius::identity< X > | |
| Csirius::lr::Identity_preconditioner | |
| Cdetail::identity_tag< T > | |
| Csirius::mixer::mixer_impl::InnerProduct< FUNC_REVERSE_INDEX, normalize, FUNCS > | Compute inner product <x|y> between pairs of functions in tuples and accumulate in the result |
| Csirius::mixer::mixer_impl::InnerProduct< 0, normalize, FUNCS... > | |
| Cdetail::input_stream_adapter | |
| Cdetail::integer_sequence< T, Ints > | |
| ►Cstd::integral_constant | |
| Cdetail::has_key_compare< T > | |
| Cdetail::is_basic_json_context< BasicJsonContext > | |
| Cdetail::negation< B > | |
| Cstd::tuple_size<::nlohmann::detail::iteration_proxy_value< IteratorType > > | |
| Cdetail::internal_iterator< BasicJsonType > | Iterator value |
| Cdetail::internal_iterator< typename std::remove_const< BasicJsonType >::type > | |
| Cdetail::is_compatible_array_type_impl< BasicJsonType, CompatibleArrayType, enable_if_t< is_detected< iterator_t, CompatibleArrayType >::value &&is_iterator_traits< iterator_traits< detected_t< iterator_t, CompatibleArrayType > > >::value &&!std::is_same< CompatibleArrayType, detected_t< range_value_t, CompatibleArrayType > >::value > > | |
| Cdetail::is_compatible_integer_type_impl< RealIntegerType, CompatibleNumberIntegerType, enable_if_t< std::is_integral< RealIntegerType >::value &&std::is_integral< CompatibleNumberIntegerType >::value &&!std::is_same< bool, CompatibleNumberIntegerType >::value > > | |
| Cdetail::is_compatible_object_type_impl< BasicJsonType, CompatibleObjectType, enable_if_t< is_detected< mapped_type_t, CompatibleObjectType >::value &&is_detected< key_type_t, CompatibleObjectType >::value > > | |
| Cdetail::is_compatible_string_type< BasicJsonType, CompatibleStringType > | |
| Cdetail::is_compatible_type_impl< BasicJsonType, CompatibleType, enable_if_t< is_complete_type< CompatibleType >::value > > | |
| Csirius::sddk::is_complex< T > | Check is the type is a complex number; by default it is not |
| Csirius::sddk::is_complex< std::complex< T > > | Check is the type is a complex number: for std::complex<T> it is true |
| ►Cstd::is_constructible | |
| Cdetail::is_constructible< T, Args > | |
| Cdetail::is_constructible_array_type_impl< BasicJsonType, ConstructibleArrayType, enable_if_t< !std::is_same< ConstructibleArrayType, typename BasicJsonType::value_type >::value &&!is_compatible_string_type< BasicJsonType, ConstructibleArrayType >::value &&is_default_constructible< ConstructibleArrayType >::value &&(std::is_move_assignable< ConstructibleArrayType >::value||std::is_copy_assignable< ConstructibleArrayType >::value)&&is_detected< iterator_t, ConstructibleArrayType >::value &&is_iterator_traits< iterator_traits< detected_t< iterator_t, ConstructibleArrayType > > >::value &&is_detected< range_value_t, ConstructibleArrayType >::value &&!std::is_same< ConstructibleArrayType, detected_t< range_value_t, ConstructibleArrayType > >::value &&is_complete_type< detected_t< range_value_t, ConstructibleArrayType > >::value > > | |
| Cdetail::is_constructible_object_type_impl< BasicJsonType, ConstructibleObjectType, enable_if_t< is_detected< mapped_type_t, ConstructibleObjectType >::value &&is_detected< key_type_t, ConstructibleObjectType >::value > > | |
| Cdetail::is_constructible_string_type< BasicJsonType, ConstructibleStringType > | |
| ►Cstd::is_default_constructible | |
| Cdetail::is_default_constructible< T > | |
| ►Cis_detected | |
| Cdetail::is_detected_lazy< Op, Args > | |
| Cdetail::is_getable< BasicJsonType, T > | |
| Cdetail::is_iterator_of_multibyte< T > | |
| Cdetail::is_iterator_traits< iterator_traits< T > > | |
| Cdetail::is_ordered_map< T > | |
| Cdetail::is_range< T > | |
| Cdetail::is_sax< SAX, BasicJsonType > | |
| Cdetail::is_sax_static_asserts< SAX, BasicJsonType > | |
| Cdetail::iter_impl< BasicJsonType > | Template for a bidirectional iterator for the basic_json class This class implements a both iterators (iterator and const_iterator) for the basic_json class |
| Cdetail::iteration_proxy< IteratorType > | Proxy class for the items() function |
| Cdetail::iteration_proxy_value< IteratorType > | |
| Csirius::config_t::iterative_solver_t | Parameters of the iterative solver |
| Cdetail::iterator_input_adapter< IteratorType > | |
| Cdetail::iterator_input_adapter_factory< IteratorType, Enable > | |
| Cdetail::iterator_input_adapter_factory< IteratorType, enable_if_t< is_iterator_of_multibyte< IteratorType >::value > > | |
| Cdetail::iterator_traits< T, typename > | |
| Cdetail::iterator_traits< T *, enable_if_t< std::is_object< T >::value > > | |
| Cdetail::iterator_types< It, typename > | |
| Cdetail::iterator_types< It, void_t< typename It::difference_type, typename It::value_type, typename It::pointer, typename It::reference, typename It::iterator_category > > | |
| ►Cdetail::iterator_types< T > | |
| Cdetail::iterator_traits< T, enable_if_t< !std::is_pointer< T >::value > > | |
| ►Cnlohmann::detail::json_base_class | |
| Cbasic_json< ObjectType, ArrayType, StringType, BooleanType, NumberIntegerType, NumberUnsignedType, NumberFloatType, AllocatorType, JSONSerializer, BinaryType, CustomBaseClass > | Namespace for Niels Lohmann |
| Cdetail::json_default_base | Default base class of the basic_json class |
| Cjson_pointer< RefStringType > | JSON Pointer defines a string syntax for identifying a specific value within a JSON document |
| Cdetail::json_ref< BasicJsonType > | |
| Cjson_sax< BasicJsonType > | SAX interface |
| Cdetail::json_sax_acceptor< BasicJsonType > | |
| Cdetail::json_sax_dom_callback_parser< BasicJsonType > | |
| Cdetail::json_sax_dom_parser< BasicJsonType > | SAX implementation to create a JSON value from SAX events |
| Csirius::K_point< T > | K-point related variables and methods |
| Csirius::K_point< double > | |
| Csirius::K_point_set | Set of k-points |
| Csirius::kp_index_t | K-point index type |
| Csirius::Lattice_relaxation | |
| Cstd::less< ::nlohmann::detail::value_t > | |
| ►Cdetail::lexer_base< BasicJsonType > | |
| Cdetail::lexer< BasicJsonType, InputAdapterType > | Lexical analysis |
| Csirius::la::linalg_base | Base class for linear algebra interface |
| Csirius::lr::Linear_response_operator | |
| Csirius::lo_basis_descriptor | Descriptor of the local-orbital part of the LAPW+lo basis |
| Csirius::config_t::hubbard_t::local_list_t | |
| Csirius::Local_operator< T > | Representation of the local operator |
| Csirius::local_orbital_descriptor | Descriptor of a local orbital radial function |
| Csirius::config_t::hubbard_t::local_t | Description of the on-site (local) Hubbard interaction |
| Csirius::splindex< Index_t >::location_t | Pair of <local index, block_id> describing the location of a global index element |
| Csirius::magnetic_group_symmetry_descriptor | Descriptor of the magnetic group symmetry operation |
| Cdetail::make_void< Ts > | |
| Csirius::Matching_coefficients | |
| Csirius::r3::matrix< T > | Handling of a 3x3 matrix of numerical data types |
| Csirius::r3::matrix< double > | |
| Csirius::r3::matrix< int > | |
| ►Cnlcglib::MatrixBaseZ | |
| Csirius::Matrix | |
| Csirius::sddk::mdarray< T, N > | Multidimensional array with the column-major (Fortran) order |
| Csirius::sddk::mdarray< complex_t > | |
| Csirius::sddk::mdarray< complex_t, 3 > | |
| Csirius::sddk::mdarray< double, 1 > | |
| Csirius::sddk::mdarray< double, 2 > | |
| Csirius::sddk::mdarray< double, 3 > | |
| Csirius::sddk::mdarray< double, 4 > | |
| Csirius::sddk::mdarray< int, 1 > | |
| Csirius::sddk::mdarray< int, 2 > | |
| Csirius::sddk::mdarray< int, 3 > | |
| Csirius::sddk::mdarray< numeric_t, 1 > | |
| Csirius::sddk::mdarray< numeric_t, 2 > | |
| Csirius::sddk::mdarray< sirius::Spline< double >, 2 > | |
| Csirius::sddk::mdarray< sirius::Spline< double >, N > | |
| Csirius::sddk::mdarray< std::complex< double > > | |
| Csirius::sddk::mdarray< std::complex< double >, 1 > | |
| ►Csirius::sddk::mdarray< std::complex< double >, 2 > | |
| Csirius::Spheric_function< domain_t, T > | Function in spherical harmonics or spherical coordinates representation |
| Csirius::sddk::mdarray< std::complex< double >, 3 > | |
| Csirius::sddk::mdarray< std::complex< double >, 4 > | |
| Csirius::sddk::mdarray< std::complex< T > > | |
| Csirius::sddk::mdarray< std::complex< T >, 1 > | |
| Csirius::sddk::mdarray< std::complex< T >, 2 > | |
| Csirius::sddk::mdarray< std::complex< T >, 3 > | |
| Csirius::sddk::mdarray< std::vector< sirius::gaunt_L1_L2< T > >, 1 > | |
| Csirius::sddk::mdarray< std::vector< sirius::gaunt_L3< T > >, 2 > | |
| Csirius::sddk::mdarray< T, 1 > | |
| ►Csirius::sddk::mdarray< T, 2 > | |
| Csirius::la::dmatrix< std::complex< T > > | |
| Csirius::la::dmatrix< std::complex< double > > | |
| Csirius::la::dmatrix< T > | Distributed matrix |
| Csirius::sddk::mdarray< T, 3 > | |
| Csirius::sddk::mdarray< uint32_t, 1 > | |
| Csirius::sddk::mdarray_index_descriptor | Index descriptor of mdarray |
| Csirius::sddk::memory_pool | |
| ►Csirius::sddk::memory_t_deleter_base | Base class for smart pointer deleters |
| Csirius::sddk::memory_pool_deleter | Deleter for the allocated memory pointer from a given memory pool |
| Csirius::sddk::memory_t_deleter | Deleter for the allocated memory pointer of a given type |
| ►Csirius::sddk::memory_t_deleter_base::memory_t_deleter_base_impl | |
| Csirius::sddk::memory_pool_deleter::memory_pool_deleter_impl | |
| Csirius::sddk::memory_t_deleter::memory_t_deleter_impl | |
| Csirius::smearing::methfessel_paxton | |
| Csirius::mixer::Mixer< FUNCS > | Abstract mixer for variadic number of Function objects, which are described by FunctionProperties |
| ►Csirius::mixer::Mixer< FUNCS... > | |
| Csirius::mixer::Anderson< FUNCS > | Anderson mixer |
| Csirius::mixer::Anderson_stable< FUNCS > | Anderson mixer |
| Csirius::mixer::Broyden2< FUNCS > | Broyden mixer |
| Csirius::mixer::Linear< FUNCS > | |
| Csirius::config_t::mixer_t | Parameters of the mixer |
| Csirius::mpi::mpi_comm_deleter | |
| Csirius::nearest_neighbour_descriptor | Descriptor of an atom in a list of nearest neighbours for each atom |
| Csirius::config_t::nlcg_t | Non-linear conjugate gradient minimisation |
| ►Csirius::Non_local_operator< T > | Non-local part of the Hamiltonian and S-operator in the pseudopotential method |
| Csirius::D_operator< T > | |
| Csirius::Q_operator< T > | |
| ►Csirius::Non_local_operator< double > | |
| Csirius::Q_operator< double > | |
| Cdetail::nonesuch | |
| Csirius::config_t::hubbard_t::nonlocal_list_t | |
| Csirius::config_t::hubbard_t::nonlocal_t | Description of the off-site (nonlocal) Hubbard interaction |
| Cnormalized_preconditioned_residuals_result< T > | |
| Csirius::mpi::op_wrapper< op > | |
| Csirius::mpi::op_wrapper< op_t::land > | |
| Csirius::mpi::op_wrapper< op_t::max > | |
| Csirius::mpi::op_wrapper< op_t::min > | |
| Csirius::mpi::op_wrapper< op_t::sum > | |
| ►Csirius::local::OperatorBase | |
| Csirius::Teter< numeric_t > | |
| Csirius::Ultrasoft_preconditioner< numeric_t > | |
| ►Cstd::ostream | |
| Csirius::null_stream_t | |
| ►Cstd::ostringstream | |
| Csirius::rte::ostream | |
| Cdetail::output_adapter< CharType, StringType > | |
| ►Cdetail::output_adapter_protocol< CharType > | Abstract output adapter interface |
| Cdetail::output_stream_adapter< CharType > | Output adapter for output streams |
| Cdetail::output_string_adapter< CharType, StringType > | Output adapter for basic_string |
| Cdetail::output_vector_adapter< CharType, AllocatorType > | Output adapter for byte vectors |
| ►Csirius::local::Overlap_operator | |
| Csirius::InverseS_k< numeric_t > | |
| Csirius::S_k< numeric_t > | |
| Csirius::config_t::parameters_t | Parameters of the simulation |
| Cdetail::parser< BasicJsonType, InputAdapterType > | Syntax analysis |
| Csirius::paw_atom_index_t | |
| ►Csirius::PAW_field4D< T > | PAW density and potential storage |
| Csirius::PAW_density< T > | PAW density storage |
| Csirius::Periodic_function< T > | Representation of the periodical function on the muffin-tin geometry |
| Csirius::periodic_function_ptr_t< T > | Describe external pointers to periodic function |
| Cvcsqnm::PES_optimizer::periodic_optimizer | |
| Cdetail::position_t | Struct to capture the start position of the current token |
| Cdetail::primitive_iterator_t | |
| Cdetail::priority_tag< N > | |
| Cdetail::priority_tag< 0 > | |
| Csirius::ps_atomic_wf_descriptor | Store basic information about radial pseudo wave-functions |
| Csirius::radial_function_index_descriptor | Descriptor for the atomic radial functions |
| Csirius::radial_functions_index | Radial basis function index |
| ►Csirius::Radial_grid< T > | Base class for radial grids |
| Csirius::Radial_grid_exp< T > | |
| Csirius::Radial_grid_ext< T > | External radial grid provided as a list of points |
| Csirius::Radial_grid_lin_exp< T > | |
| ►Csirius::Radial_grid_pow< T > | |
| Csirius::Radial_grid_lin< T > | |
| ►Csirius::Radial_grid< double > | |
| Csirius::Spline< double > | |
| Csirius::Spline< T, U > | Cubic spline with a not-a-knot boundary conditions |
| Csirius::Radial_integrals_base< N > | Base class for all kinds of radial integrals |
| ►Csirius::Radial_integrals_base< 1 > | |
| Csirius::Radial_integrals_rho_core_pseudo< jl_deriv > | |
| Csirius::Radial_integrals_rho_free_atom | |
| Csirius::Radial_integrals_rho_pseudo | |
| Csirius::Radial_integrals_vloc< jl_deriv > | |
| ►Csirius::Radial_integrals_base< 2 > | |
| Csirius::Radial_integrals_atomic_wf< jl_deriv > | Radial integrals of the atomic centered orbitals |
| Csirius::Radial_integrals_beta< jl_deriv > | Radial integrals of beta projectors |
| ►Csirius::Radial_integrals_base< 3 > | |
| Csirius::Radial_integrals_aug< jl_deriv > | Radial integrals of the augmentation operator |
| Csirius::radial_integrals_t | Store all radial integrals in one place |
| Csirius::radial_solution_descriptor | Describes radial solution |
| ►Csirius::Radial_solver | Finds a solution to radial Schrodinger, Koelling-Harmon or Dirac equation |
| Csirius::Bound_state | |
| Csirius::Enu_finder | |
| Csirius::Real< T > | |
| Csirius::Real< gpu_complex_type< double > > | |
| Csirius::Real< gpu_complex_type< float > > | |
| Csirius::Real< std::complex< T > > | |
| Csirius::mpi::Request | |
| Cresidual_result_t | |
| ►Cstd::reverse_iterator | |
| Cdetail::json_reverse_iterator< Base > | Template for a reverse iterator class |
| Csirius::mixer::mixer_impl::Rotate< FUNC_REVERSE_INDEX, FUNCS > | |
| Csirius::mixer::mixer_impl::Rotate< 0, FUNCS... > | |
| ►Cnlcglib::ScalarBaseZ | |
| Csirius::Scalar | |
| Csirius::mixer::mixer_impl::Scaling< FUNC_REVERSE_INDEX, FUNCS > | |
| Csirius::mixer::mixer_impl::Scaling< 0, FUNCS... > | |
| Crt_graph::ScopedTiming | |
| Cdetail::serializer< BasicJsonType > | |
| Csirius::serializer | Serialize and deserialize objects |
| Csirius::config_t::settings_t | Settings control the internal parameters related to the numerical implementation |
| Csirius::SHT | Spherical harmonics transformations and related oprtations |
| Csirius::wf::shuffle_to | |
| ►Csirius::Simulation_parameters | Set of basic parameters of a simulation |
| Csirius::Simulation_context | Simulation context is a set of parameters and objects describing a single simulation |
| Csirius::sirius_context_handler | Opaque wrapper for simulation context handler |
| Csirius_context_handler_t | |
| Csirius::sirius_free_handler | Free any of the SIRIUS handlers (context, ground state or k-points) |
| Csirius::sirius_ground_state_handler | Opaque wrapper for DFT ground statee handler |
| Csirius_ground_state_handler_t | |
| Csirius::sirius_kpoint_set_handler | Opaque wrapper for K-point set handler |
| Csirius_kpoint_set_handler_t | |
| Csirius::Smooth_periodic_function< T > | Representation of a smooth (Fourier-transformable) periodic function |
| Csirius::smooth_periodic_function_ptr_t< T > | |
| Csirius::lr::Smoothed_diagonal_preconditioner | |
| Csirius::space_group_symmetry_descriptor | Descriptor of the space group symmetry operation |
| Cdetail::span_input_adapter | |
| Csirius::fft::SpFFT_Grid< T > | Type traits to handle Spfft grid for different precision type |
| Csirius::fft::SpFFT_Grid< double > | |
| Csirius::fft::SpFFT_Grid< std::complex< double > > | |
| Csirius::fft::SpFFT_Transform< T > | Type traits to handle Spfft driver for different precision type |
| Csirius::fft::SpFFT_Transform< double > | |
| Csirius::fft::SpFFT_Transform< std::complex< double > > | |
| Csirius::Spheric_function_set< T, I > | |
| Csirius::Spheric_function_set< T, sirius::atom_index_t > | |
| Csirius::spheric_function_set_ptr_t< T > | |
| Csirius::sf::Spherical_Bessel_functions | Spherical Bessel functions \( j_{\ell}(q x) \) up to lmax |
| Csirius::wf::spin_range | Describe a range of spins |
| Csirius::splindex< Index_t > | Base class for split index |
| ►Csirius::splindex< basic_index_t< int > > | |
| Csirius::splindex_block< Index_t > | |
| Csirius::splindex_block_cyclic< Index_t > | |
| Csirius::splindex_chunk< Index_t > | Externally defined block distribution |
| ►Csirius::splindex< I > | |
| Csirius::splindex_block< I > | |
| Csirius::splindex< Index_t > | |
| ►Csirius::splindex< sirius::atom_index_t > | |
| Csirius::splindex_block< sirius::atom_index_t > | |
| ►Csirius::splindex< sirius::atom_symmetry_class_index_t > | |
| Csirius::splindex_block< sirius::atom_symmetry_class_index_t > | |
| ►Csirius::splindex< sirius::kp_index_t > | |
| Csirius::splindex_chunk< sirius::kp_index_t > | |
| ►Csirius::splindex< sirius::paw_atom_index_t > | |
| Csirius::splindex_block< sirius::paw_atom_index_t > | |
| Csirius::splindex_iterator_t< Index_t > | |
| Cvcsqnm::sqnm_space::SQNM | |
| Cdetail::static_const< T > | |
| Csirius::step_function_t | Representation of the unit step function |
| Csirius::acc::stream_id | Helper class to wrap stream id (integer number) |
| Csirius::Stress | Stress tensor |
| Cjson_pointer< RefStringType >::string_t_helper< T > | |
| Cjson_pointer< RefStringType >::string_t_helper< NLOHMANN_BASIC_JSON_TPL > | |
| ►Cstd::stringstream | |
| Csirius::mpi::pstdout | Parallel standard output |
| Csirius::strong_type< T, Tag > | |
| Csirius::strong_type< int, struct __bf_index_tag > | |
| Csirius::strong_type< int, struct __block_id_tag > | |
| Csirius::strong_type< int, struct __n_blocks_tag > | |
| Csirius::strong_type< int, struct __num_bands_tag > | |
| Csirius::strong_type< int, struct __num_mag_dims_tag > | |
| Csirius::strong_type< int, struct __num_spins_tag > | |
| Csirius::strong_type< int, struct __rf_index_tag > | |
| Csirius::strong_type< int, struct __rf_lo_index_tag > | |
| Csirius::strong_type< int, struct __spin_index_tag > | |
| Crt_graph::Timer | |
| Crt_graph::internal::TimeStamp | |
| Crt_graph::internal::TimingNode | |
| Crt_graph::TimingResult | |
| Cdetail::to_json_fn | |
| ►Cstd::true_type | |
| ►Cdetail::conjunction< is_constructible< T1, Args >... > | |
| Cdetail::is_constructible_tuple< T1, std::tuple< Args... > > | |
| ►Cdetail::conjunction< is_default_constructible< T1 >, is_default_constructible< T2 > > | |
| ►Cdetail::is_default_constructible< const std::pair< T1, T2 > > | |
| Cdetail::is_constructible< const std::pair< T1, T2 > > | |
| ►Cdetail::is_default_constructible< std::pair< T1, T2 > > | |
| Cdetail::is_constructible< std::pair< T1, T2 > > | |
| ►Cdetail::conjunction< is_default_constructible< Ts >... > | |
| ►Cdetail::is_default_constructible< const std::tuple< Ts... > > | |
| Cdetail::is_constructible< const std::tuple< Ts... > > | |
| ►Cdetail::is_default_constructible< std::tuple< Ts... > > | |
| Cdetail::is_constructible< std::tuple< Ts... > > | |
| Cdetail::conjunction<... > | |
| Cdetail::is_basic_json< NLOHMANN_BASIC_JSON_TPL > | |
| Cdetail::is_comparable< Compare, A, B, void_t< decltype(std::declval< Compare >()(std::declval< A >(), std::declval< B >())), decltype(std::declval< Compare >()(std::declval< B >(), std::declval< A >()))> > | |
| Cdetail::is_complete_type< T, decltype(void(sizeof(T)))> | |
| Cdetail::is_constructible_array_type_impl< BasicJsonType, ConstructibleArrayType, enable_if_t< std::is_same< ConstructibleArrayType, typename BasicJsonType::value_type >::value > > | |
| Cdetail::is_json_iterator_of< BasicJsonType, typename BasicJsonType::const_iterator > | |
| Cdetail::is_json_iterator_of< BasicJsonType, typename BasicJsonType::iterator > | |
| Cdetail::is_json_ref< json_ref< T > > | |
| Cdetail::is_specialization_of< Primary, Primary< Args... > > | |
| Cstd::tuple_element< N, ::nlohmann::detail::iteration_proxy_value< IteratorType > > | |
| Cdetail::is_ordered_map< T >::two | |
| ►Cstd::conditional::type | |
| Cdetail::conjunction< B, Bn... > | |
| Csirius::acc::cusolver::type_wrapper< typename > | |
| Csirius::mpi::type_wrapper< T > | |
| Csirius::mpi::type_wrapper< bool > | |
| Csirius::mpi::type_wrapper< char > | |
| Csirius::acc::cusolver::type_wrapper< double > | |
| Csirius::mpi::type_wrapper< double > | |
| Csirius::acc::cusolver::type_wrapper< float > | |
| Csirius::mpi::type_wrapper< float > | |
| Csirius::mpi::type_wrapper< int > | |
| Csirius::mpi::type_wrapper< int16_t > | |
| Csirius::mpi::type_wrapper< long double > | |
| Csirius::acc::cusolver::type_wrapper< std::complex< double > > | |
| Csirius::mpi::type_wrapper< std::complex< double > > | |
| Csirius::acc::cusolver::type_wrapper< std::complex< float > > | |
| Csirius::mpi::type_wrapper< std::complex< float > > | |
| Csirius::mpi::type_wrapper< uint32_t > | |
| Csirius::mpi::type_wrapper< unsigned char > | |
| Csirius::mpi::type_wrapper< unsigned long > | |
| Csirius::mpi::type_wrapper< unsigned long long > | |
| Csirius::U_operator< T > | |
| Csirius::Unit_cell | Representation of a unit cell |
| Csirius::unit_cell_parameters_descriptor | |
| Csirius::config_t::unit_cell_t | Unit cell representation |
| Csirius::Local_operator< T >::v_local_index_t | |
| Cdetail::value_in_range_of_impl1< OfType, T, NeverOutOfRange, typename > | |
| Cdetail::value_in_range_of_impl1< OfType, T, false > | |
| Cdetail::value_in_range_of_impl1< OfType, T, true > | |
| Cdetail::value_in_range_of_impl2< OfType, T, OfTypeSigned, TSigned > | |
| Cdetail::value_in_range_of_impl2< OfType, T, false, false > | |
| Cdetail::value_in_range_of_impl2< OfType, T, false, true > | |
| Cdetail::value_in_range_of_impl2< OfType, T, true, false > | |
| Cdetail::value_in_range_of_impl2< OfType, T, true, true > | |
| Csirius::config_t::vcsqnm_t | Variable cell shape stabilized quasi Newton method (VC-SQNM) |
| ►Cstd::vector | |
| Csirius::Measurement | |
| ►Cstd::vector< std::pair< const Key, T >, std::allocator< std::pair< const Key, T > > > | |
| Cordered_map< Key, T, IgnoredLess, Allocator > | Minimal map-like container that preserves insertion order |
| ►Cnlcglib::VectorBaseZ | |
| Csirius::Array1d | TODO: Array1d owns data.. |
| ►Csirius::wf::Wave_functions_base< T > | Base class for the wave-functions |
| Csirius::wf::Wave_functions_fft< T > | Wave-fucntions in the FFT-friendly distribution |
| ►Csirius::wf::Wave_functions_mt< T > | Wave-functions for the muffin-tin part of LAPW |
| Csirius::wf::Wave_functions< T > | Wave-functions representation |
| ►Csirius::wf::Wave_functions_base< double > | |
| ►Csirius::wf::Wave_functions_mt< double > | |
| Csirius::wf::Wave_functions< double > | |
| Csirius::lr::Wave_functions_wrap | |
| Cdetail::wide_string_input_adapter< BaseInputAdapter, WideCharType > | |
| Cdetail::wide_string_input_helper< BaseInputAdapter, T > | |
| Cdetail::wide_string_input_helper< BaseInputAdapter, 2 > | |
| Cdetail::wide_string_input_helper< BaseInputAdapter, 4 > | |
| Csirius::la::wrap | |
| ►Csirius::XC_functional_base | Interface class to Libxc |
| Csirius::XC_functional | Interface class to Libxc |
| Csirius::fft::z_column_descriptor | Descriptor of the z-column (x,y fixed, z varying) of the G-vectors |
