SIRIUS
7.5.0
Electronic structure library and applications
Class Index
A
|
B
|
C
|
D
|
E
|
F
|
G
|
H
|
I
|
J
|
K
|
L
|
M
|
N
|
O
|
P
|
Q
|
R
|
S
|
T
|
U
|
V
|
W
|
X
|
Z
A
actual_object_comparator
(
detail
)
adl_serializer
Anderson
(
sirius::mixer
)
Anderson_stable
(
sirius::mixer
)
angular_momentum
(
sirius
)
any_ptr
(
sirius
)
Array1d
(
sirius
)
Atom
(
sirius
)
atom_index_t
(
sirius
)
Atom_symmetry_class
(
sirius
)
atom_symmetry_class_index_t
(
sirius
)
Atom_type
(
sirius
)
Atom_type_base
(
sirius
)
atom_type_index_t
(
sirius
)
atomic_level_descriptor
Augmentation_operator
(
sirius
)
Axpy
(sirius::mixer::mixer_impl)
Axpy< 0, FUNCS... >
(sirius::mixer::mixer_impl)
B
band_range
(
sirius::wf
)
basic_index_t
(
sirius
)
basic_json
basis_function_index_descriptor
(
sirius
)
basis_functions_index
(
sirius
)
beta_chunk_t
(
sirius
)
beta_desc_idx
(
sirius
)
Beta_projector_generator
(
sirius
)
Beta_projectors
(
sirius
)
Beta_projectors_base
(
sirius
)
beta_projectors_coeffs_t
(
sirius
)
Beta_projectors_gradient
(
sirius
)
Beta_projectors_strain_deriv
(
sirius
)
binary_reader
(
detail
)
binary_writer
(
detail
)
BLACS_grid
(
sirius::la
)
block_data_descriptor
(
sirius::mpi
)
Bound_state
(
sirius
)
boundaries
(
detail::dtoa_impl
)
Broyden2
(
sirius::mixer
)
byte_container_with_subtype
C
cached_power
(
detail::dtoa_impl
)
callback_functions_t
(
sirius
)
cmd_args
(
sirius
)
cold
(
sirius::smearing
)
Communicator
(
sirius::mpi
)
Config
(
sirius
)
config_t
(
sirius
)
conjunction
(
detail
)
conjunction< B >
(
detail
)
conjunction< B, Bn... >
(
detail
)
constant
(
sirius::la
)
container_input_adapter_factory
(detail::container_input_adapter_factory_impl)
container_input_adapter_factory< ContainerType, void_t< decltype(begin(std::declval< ContainerType >()), end(std::declval< ContainerType >()))> >
(detail::container_input_adapter_factory_impl)
config_t::control_t
(
sirius
)
Copy
(sirius::mixer::mixer_impl)
Copy< 0, FUNCS... >
(sirius::mixer::mixer_impl)
Crystal_symmetry
(
sirius
)
CUDA_timer
(
sirius
)
CUDA_timers_wrapper
(
sirius
)
D
D_operator
(
sirius
)
davidson_result_t
(
sirius
)
Density
(
sirius
)
density_matrix_t
(
sirius
)
detector
(
detail
)
detector< Default, void_t< Op< Args... > >, Op, Args... >
(
detail
)
device_memory_guard
(
sirius::wf
)
DFT_ground_state
(
sirius
)
diagonalize_result_t
(
sirius
)
DiagonalPreconditioner
(
sirius
)
diyfp
(
detail::dtoa_impl
)
dmatrix
(
sirius::la
)
E
Eigensolver
(
sirius::la
)
Eigensolver_cuda
(
sirius::la
)
Eigensolver_dlaf
(
sirius::la
)
Eigensolver_elpa
(
sirius::la
)
Eigensolver_lapack
(
sirius::la
)
Eigensolver_magma
(
sirius::la
)
Eigensolver_magma_gpu
(
sirius::la
)
Eigensolver_scalapack
(
sirius::la
)
Energy
(
sirius
)
Enu_finder
(
sirius
)
exception
(
detail
)
Extend
(detail::utility_internal)
Extend< integer_sequence< T, Ints... >, SeqSize, 0 >
(detail::utility_internal)
Extend< integer_sequence< T, Ints... >, SeqSize, 1 >
(detail::utility_internal)
external_constructor
(
detail
)
external_constructor< value_t::array >
(
detail
)
external_constructor< value_t::binary >
(
detail
)
external_constructor< value_t::boolean >
(
detail
)
external_constructor< value_t::number_float >
(
detail
)
external_constructor< value_t::number_integer >
(
detail
)
external_constructor< value_t::number_unsigned >
(
detail
)
external_constructor< value_t::object >
(
detail
)
external_constructor< value_t::string >
(
detail
)
F
fermi_dirac
(
sirius::smearing
)
ffmt
(
sirius
)
Field4D
(
sirius
)
file_input_adapter
(
detail
)
Force
(
sirius
)
Free_atom
(
sirius
)
from_json_fn
(
detail
)
FunctionProperties
(
sirius::mixer
)
G
Gaunt_coefficients
(
sirius
)
gaunt_L1_L2
(
sirius
)
gaunt_L3
(
sirius
)
gaussian
(
sirius::smearing
)
Gen
(detail::utility_internal)
Gen< T, 0 >
(detail::utility_internal)
GPU_Complex
(
sirius
)
GPU_Complex< double >
(
sirius
)
GPU_Complex< float >
(
sirius
)
Grid
(
sirius::fft
)
Grid
(
sirius::mpi
)
Gvec
(
sirius::fft
)
Gvec_fft
(
sirius::fft
)
Gvec_shells
(
sirius::fft
)
H
Hamiltonian0
(
sirius
)
Hamiltonian_k
(
sirius
)
has_from_json
(
detail
)
has_from_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > >
(
detail
)
has_key_compare
(
detail
)
has_non_default_from_json
(
detail
)
has_non_default_from_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > >
(
detail
)
has_to_json
(
detail
)
has_to_json< BasicJsonType, T, enable_if_t< !is_basic_json< T >::value > >
(
detail
)
hash< nlohmann::NLOHMANN_BASIC_JSON_TPL >
(std)
hbar
(
sirius
)
HDF5_tree::HDF5_attribute
(
sirius
)
HDF5_tree::HDF5_dataset
(
sirius
)
HDF5_tree::HDF5_dataspace
(
sirius
)
HDF5_tree::HDF5_group
(
sirius
)
HDF5_tree
(
sirius
)
hdf5_type_wrapper
(
sirius
)
hdf5_type_wrapper< double >
(
sirius
)
hdf5_type_wrapper< float >
(
sirius
)
hdf5_type_wrapper< int >
(
sirius
)
hdf5_type_wrapper< uint8_t >
(
sirius
)
HistoryList
(vcsqnm::hlist_space)
Hubbard
(
sirius
)
Hubbard_matrix
(
sirius
)
hubbard_orbital_descriptor
(
sirius
)
config_t::hubbard_t
(
sirius
)
I
identity
(
sirius
)
Identity_preconditioner
(
sirius::lr
)
identity_tag
(
detail
)
InnerProduct
(sirius::mixer::mixer_impl)
InnerProduct< 0, normalize, FUNCS... >
(sirius::mixer::mixer_impl)
input_stream_adapter
(
detail
)
integer_sequence
(
detail
)
internal_iterator
(
detail
)
invalid_iterator
(
detail
)
InverseS_k
(
sirius
)
is_basic_json
(
detail
)
is_basic_json< NLOHMANN_BASIC_JSON_TPL >
(
detail
)
is_basic_json_context
(
detail
)
is_c_string
(
detail
)
is_comparable
(
detail
)
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 >()))> >
(
detail
)
is_compatible_array_type
(
detail
)
is_compatible_array_type_impl
(
detail
)
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 > >
(
detail
)
is_compatible_integer_type
(
detail
)
is_compatible_integer_type_impl
(
detail
)
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 > >
(
detail
)
is_compatible_object_type
(
detail
)
is_compatible_object_type_impl
(
detail
)
is_compatible_object_type_impl< BasicJsonType, CompatibleObjectType, enable_if_t< is_detected< mapped_type_t, CompatibleObjectType >::value &&is_detected< key_type_t, CompatibleObjectType >::value > >
(
detail
)
is_compatible_string_type
(
detail
)
is_compatible_type
(
detail
)
is_compatible_type_impl
(
detail
)
is_compatible_type_impl< BasicJsonType, CompatibleType, enable_if_t< is_complete_type< CompatibleType >::value > >
(
detail
)
is_complete_type
(
detail
)
is_complete_type< T, decltype(void(sizeof(T)))>
(
detail
)
is_complex
(sirius::sddk)
is_complex< std::complex< T > >
(sirius::sddk)
is_constructible
(
detail
)
is_constructible< const std::pair< T1, T2 > >
(
detail
)
is_constructible< const std::tuple< Ts... > >
(
detail
)
is_constructible< std::pair< T1, T2 > >
(
detail
)
is_constructible< std::tuple< Ts... > >
(
detail
)
is_constructible_array_type
(
detail
)
is_constructible_array_type_impl
(
detail
)
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 > >
(
detail
)
is_constructible_array_type_impl< BasicJsonType, ConstructibleArrayType, enable_if_t< std::is_same< ConstructibleArrayType, typename BasicJsonType::value_type >::value > >
(
detail
)
is_constructible_object_type
(
detail
)
is_constructible_object_type_impl
(
detail
)
is_constructible_object_type_impl< BasicJsonType, ConstructibleObjectType, enable_if_t< is_detected< mapped_type_t, ConstructibleObjectType >::value &&is_detected< key_type_t, ConstructibleObjectType >::value > >
(
detail
)
is_constructible_string_type
(
detail
)
is_constructible_tuple
(
detail
)
is_constructible_tuple< T1, std::tuple< Args... > >
(
detail
)
is_default_constructible
(
detail
)
is_default_constructible< const std::pair< T1, T2 > >
(
detail
)
is_default_constructible< const std::tuple< Ts... > >
(
detail
)
is_default_constructible< std::pair< T1, T2 > >
(
detail
)
is_default_constructible< std::tuple< Ts... > >
(
detail
)
is_detected_lazy
(
detail
)
is_getable
(
detail
)
is_iterator_of_multibyte
(
detail
)
is_iterator_traits
(
detail
)
is_iterator_traits< iterator_traits< T > >
(
detail
)
is_json_iterator_of
(
detail
)
is_json_iterator_of< BasicJsonType, typename BasicJsonType::const_iterator >
(
detail
)
is_json_iterator_of< BasicJsonType, typename BasicJsonType::iterator >
(
detail
)
is_json_ref
(
detail
)
is_json_ref< json_ref< T > >
(
detail
)
is_ordered_map
(
detail
)
is_range
(
detail
)
is_sax
(
detail
)
is_sax_static_asserts
(
detail
)
is_specialization_of
(
detail
)
is_specialization_of< Primary, Primary< Args... > >
(
detail
)
is_transparent
(
detail
)
iter_impl
(
detail
)
iteration_proxy
(
detail
)
iteration_proxy_value
(
detail
)
config_t::iterative_solver_t
(
sirius
)
iterator_input_adapter
(
detail
)
iterator_input_adapter_factory
(
detail
)
iterator_input_adapter_factory< IteratorType, enable_if_t< is_iterator_of_multibyte< IteratorType >::value > >
(
detail
)
iterator_traits
(
detail
)
iterator_traits< T *, enable_if_t< std::is_object< T >::value > >
(
detail
)
iterator_traits< T, enable_if_t< !std::is_pointer< T >::value > >
(
detail
)
iterator_types
(
detail
)
iterator_types< It, void_t< typename It::difference_type, typename It::value_type, typename It::pointer, typename It::reference, typename It::iterator_category > >
(
detail
)
J
json_default_base
(
detail
)
json_pointer
json_ref
(
detail
)
json_reverse_iterator
(
detail
)
json_sax
json_sax_acceptor
(
detail
)
json_sax_dom_callback_parser
(
detail
)
json_sax_dom_parser
(
detail
)
K
K_point
(
sirius
)
K_point_set
(
sirius
)
kp_index_t
(
sirius
)
L
Lattice_relaxation
(
sirius
)
less< ::nlohmann::detail::value_t >
(std)
lexer
(
detail
)
lexer_base
(
detail
)
linalg_base
(
sirius::la
)
Linear
(
sirius::mixer
)
Linear_response_operator
(
sirius::lr
)
lo_basis_descriptor
(
sirius
)
config_t::hubbard_t::local_list_t
(
sirius
)
Local_operator
(
sirius
)
local_orbital_descriptor
(
sirius
)
config_t::hubbard_t::local_t
(
sirius
)
splindex::location_t
(
sirius
)
M
magnetic_group_symmetry_descriptor
(
sirius
)
make_void
(
detail
)
Matching_coefficients
(
sirius
)
Matrix
(
sirius
)
matrix
(
sirius::r3
)
mdarray
(sirius::sddk)
mdarray_index_descriptor
(sirius::sddk)
Measurement
(
sirius
)
memory_pool
(sirius::sddk)
memory_pool_deleter
(sirius::sddk)
memory_pool_deleter::memory_pool_deleter_impl
(sirius::sddk)
memory_t_deleter
(sirius::sddk)
memory_t_deleter_base
(sirius::sddk)
memory_t_deleter_base::memory_t_deleter_base_impl
(sirius::sddk)
memory_t_deleter::memory_t_deleter_impl
(sirius::sddk)
methfessel_paxton
(
sirius::smearing
)
Mixer
(
sirius::mixer
)
config_t::mixer_t
(
sirius
)
mpi_comm_deleter
(
sirius::mpi
)
N
nearest_neighbour_descriptor
(
sirius
)
negation
(
detail
)
config_t::nlcg_t
(
sirius
)
Non_local_operator
(
sirius
)
nonesuch
(
detail
)
config_t::hubbard_t::nonlocal_list_t
(
sirius
)
config_t::hubbard_t::nonlocal_t
(
sirius
)
normalized_preconditioned_residuals_result
null_stream_t
(
sirius
)
O
Occupation_matrix
(
sirius
)
op_wrapper
(
sirius::mpi
)
op_wrapper< op_t::land >
(
sirius::mpi
)
op_wrapper< op_t::max >
(
sirius::mpi
)
op_wrapper< op_t::min >
(
sirius::mpi
)
op_wrapper< op_t::sum >
(
sirius::mpi
)
OperatorBase
(
sirius::local
)
ordered_map
ostream
(
sirius::rte
)
other_error
(
detail
)
out_of_range
(
detail
)
output_adapter
(
detail
)
output_adapter_protocol
(
detail
)
output_stream_adapter
(
detail
)
output_string_adapter
(
detail
)
output_vector_adapter
(
detail
)
Overlap_operator
(
sirius::local
)
P
config_t::parameters_t
(
sirius
)
parse_error
(
detail
)
parser
(
detail
)
paw_atom_index_t
(
sirius
)
PAW_density
(
sirius
)
PAW_field4D
(
sirius
)
Periodic_function
(
sirius
)
periodic_function_ptr_t
(
sirius
)
periodic_optimizer
(vcsqnm::PES_optimizer)
position_t
(
detail
)
Potential
(
sirius
)
primitive_iterator_t
(
detail
)
priority_tag
(
detail
)
priority_tag< 0 >
(
detail
)
ps_atomic_wf_descriptor
(
sirius
)
pstdout
(
sirius::mpi
)
Q
Q_operator
(
sirius
)
R
radial_function_index_descriptor
(
sirius
)
radial_functions_index
(
sirius
)
Radial_grid
(
sirius
)
Radial_grid_exp
(
sirius
)
Radial_grid_ext
(
sirius
)
Radial_grid_lin
(
sirius
)
Radial_grid_lin_exp
(
sirius
)
Radial_grid_pow
(
sirius
)
Radial_integrals_atomic_wf
(
sirius
)
Radial_integrals_aug
(
sirius
)
Radial_integrals_base
(
sirius
)
Radial_integrals_beta
(
sirius
)
Radial_integrals_rho_core_pseudo
(
sirius
)
Radial_integrals_rho_free_atom
(
sirius
)
Radial_integrals_rho_pseudo
(
sirius
)
radial_integrals_t
(
sirius
)
Radial_integrals_vloc
(
sirius
)
radial_solution_descriptor
(
sirius
)
Radial_solver
(
sirius
)
Real
(
sirius
)
Real< gpu_complex_type< double > >
(
sirius
)
Real< gpu_complex_type< float > >
(
sirius
)
Real< std::complex< T > >
(
sirius
)
Request
(
sirius::mpi
)
residual_result_t
Rotate
(sirius::mixer::mixer_impl)
Rotate< 0, FUNCS... >
(sirius::mixer::mixer_impl)
S
S_k
(
sirius
)
Scalar
(
sirius
)
Scaling
(sirius::mixer::mixer_impl)
Scaling< 0, FUNCS... >
(sirius::mixer::mixer_impl)
ScopedTiming
(rt_graph)
serializer
(
detail
)
serializer
(
sirius
)
config_t::settings_t
(
sirius
)
SHT
(
sirius
)
shuffle_to
(
sirius::wf
)
Simulation_context
(
sirius
)
Simulation_parameters
(
sirius
)
sirius_context_handler
(
sirius
)
sirius_context_handler_t
sirius_free_handler
(
sirius
)
sirius_ground_state_handler
(
sirius
)
sirius_ground_state_handler_t
sirius_kpoint_set_handler
(
sirius
)
sirius_kpoint_set_handler_t
Smooth_periodic_function
(
sirius
)
smooth_periodic_function_ptr_t
(
sirius
)
Smooth_periodic_vector_function
(
sirius
)
Smoothed_diagonal_preconditioner
(
sirius::lr
)
space_group_symmetry_descriptor
(
sirius
)
span_input_adapter
(
detail
)
SpFFT_Grid
(
sirius::fft
)
SpFFT_Grid< double >
(
sirius::fft
)
SpFFT_Grid< std::complex< double > >
(
sirius::fft
)
SpFFT_Transform
(
sirius::fft
)
SpFFT_Transform< double >
(
sirius::fft
)
SpFFT_Transform< std::complex< double > >
(
sirius::fft
)
Spheric_function
(
sirius
)
Spheric_function_set
(
sirius
)
spheric_function_set_ptr_t
(
sirius
)
Spheric_vector_function
(
sirius
)
Spherical_Bessel_functions
(
sirius::sf
)
spin_range
(
sirius::wf
)
splindex
(
sirius
)
splindex_block
(
sirius
)
splindex_block_cyclic
(
sirius
)
splindex_chunk
(
sirius
)
splindex_iterator_t
(
sirius
)
Spline
(
sirius
)
SQNM
(vcsqnm::sqnm_space)
static_const
(
detail
)
step_function_t
(
sirius
)
stream_id
(
sirius::acc
)
Stress
(
sirius
)
json_pointer::string_t_helper
json_pointer::string_t_helper< NLOHMANN_BASIC_JSON_TPL >
strong_type
(
sirius
)
T
Teter
(
sirius
)
Timer
(rt_graph)
TimeStamp
(rt_graph::internal)
TimingNode
(rt_graph::internal)
TimingResult
(rt_graph)
to_json_fn
(
detail
)
tuple_element< N, ::nlohmann::detail::iteration_proxy_value< IteratorType > >
(std)
tuple_size<::nlohmann::detail::iteration_proxy_value< IteratorType > >
(std)
is_ordered_map::two
(
detail
)
type_error
(
detail
)
type_wrapper
(
sirius::acc::cusolver
)
type_wrapper
(
sirius::mpi
)
type_wrapper< bool >
(
sirius::mpi
)
type_wrapper< char >
(
sirius::mpi
)
type_wrapper< double >
(
sirius::acc::cusolver
)
type_wrapper< double >
(
sirius::mpi
)
type_wrapper< float >
(
sirius::acc::cusolver
)
type_wrapper< float >
(
sirius::mpi
)
type_wrapper< int >
(
sirius::mpi
)
type_wrapper< int16_t >
(
sirius::mpi
)
type_wrapper< long double >
(
sirius::mpi
)
type_wrapper< std::complex< double > >
(
sirius::acc::cusolver
)
type_wrapper< std::complex< double > >
(
sirius::mpi
)
type_wrapper< std::complex< float > >
(
sirius::acc::cusolver
)
type_wrapper< std::complex< float > >
(
sirius::mpi
)
type_wrapper< uint32_t >
(
sirius::mpi
)
type_wrapper< unsigned char >
(
sirius::mpi
)
type_wrapper< unsigned long >
(
sirius::mpi
)
type_wrapper< unsigned long long >
(
sirius::mpi
)
U
U_operator
(
sirius
)
Ultrasoft_preconditioner
(
sirius
)
Unit_cell
(
sirius
)
unit_cell_parameters_descriptor
(
sirius
)
config_t::unit_cell_t
(
sirius
)
V
Local_operator::v_local_index_t
(
sirius
)
value_in_range_of_impl1
(
detail
)
value_in_range_of_impl1< OfType, T, false >
(
detail
)
value_in_range_of_impl1< OfType, T, true >
(
detail
)
value_in_range_of_impl2
(
detail
)
value_in_range_of_impl2< OfType, T, false, false >
(
detail
)
value_in_range_of_impl2< OfType, T, false, true >
(
detail
)
value_in_range_of_impl2< OfType, T, true, false >
(
detail
)
value_in_range_of_impl2< OfType, T, true, true >
(
detail
)
config_t::vcsqnm_t
(
sirius
)
vector
(
sirius::r3
)
W
Wave_functions
(
sirius::wf
)
Wave_functions_base
(
sirius::wf
)
Wave_functions_fft
(
sirius::wf
)
Wave_functions_mt
(
sirius::wf
)
Wave_functions_wrap
(
sirius::lr
)
wide_string_input_adapter
(
detail
)
wide_string_input_helper
(
detail
)
wide_string_input_helper< BaseInputAdapter, 2 >
(
detail
)
wide_string_input_helper< BaseInputAdapter, 4 >
(
detail
)
wrap
(
sirius::la
)
X
XC_functional
(
sirius
)
XC_functional_base
(
sirius
)
Z
z_column_descriptor
(
sirius::fft
)
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