Index _ | A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | Z _ __contains__() (metatensor.torch.Labels method) __eq__() (metatensor.torch.atomistic.NeighborsListOptions method) (metatensor.torch.Labels method) (metatensor.torch.LabelsEntry method) __getitem__() (metatensor.torch.Labels method) (metatensor.torch.LabelsEntry method) (metatensor.torch.TensorMap method) __len__() (metatensor.torch.Labels method) (metatensor.torch.LabelsEntry method) (metatensor.torch.TensorMap method) __ne__() (metatensor.torch.atomistic.NeighborsListOptions method) (metatensor.torch.Labels method) (metatensor.torch.LabelsEntry method) A abs() (in module metatensor) add() (in module metatensor) add_data() (metatensor.torch.atomistic.System method) add_gradient() (metatensor.TensorBlock method) (metatensor.torch.TensorBlock method) add_neighbors_list() (metatensor.torch.atomistic.System method) add_requestor() (metatensor.torch.atomistic.NeighborsListOptions method) allclose() (in module metatensor) allclose_block() (in module metatensor) allclose_block_raise() (in module metatensor) allclose_raise() (in module metatensor) append() (metatensor.Labels method) (metatensor.torch.Labels method) append_dimension() (in module metatensor) Array (class in metatensor.data) B block() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) block_by_id() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) block_from_array() (in module metatensor) blocks() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) blocks_by_id() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) blocks_matching() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) C calculate() (metatensor.torch.atomistic.ase_calculator.MetatensorCalculator method) capabilities() (metatensor.torch.atomistic.MetatensorAtomisticModel method) cell (metatensor.torch.atomistic.System property) check_atomistic_model() (in module metatensor.torch.atomistic) checks_enabled() (in module metatensor) cmake_prefix_path (in module metatensor.utils) column() (metatensor.Labels method) (metatensor.torch.Labels method) component_names (metatensor.TensorMap property) (metatensor.torch.TensorMap property) components (metatensor.TensorBlock property) (metatensor.torch.TensorBlock property) components_to_properties() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) copy() (metatensor.TensorBlock method) (metatensor.TensorMap method) (metatensor.torch.TensorBlock method) (metatensor.torch.TensorMap method) create_numpy_array() (in module metatensor.io) create_torch_array() (in module metatensor.io) D detach() (in module metatensor) detach_block() (in module metatensor) device (metatensor.Labels property) (metatensor.labels.LabelsEntry property) (metatensor.TensorBlock property) (metatensor.TensorMap property) (metatensor.torch.atomistic.System property) (metatensor.torch.TensorBlock property) (metatensor.torch.TensorMap property) DeviceWarning (class in metatensor) divide() (in module metatensor) dot() (in module metatensor) drop_blocks() (in module metatensor) dtype (metatensor.TensorBlock property) (metatensor.TensorMap property) (metatensor.torch.atomistic.System property) (metatensor.torch.TensorBlock property) (metatensor.torch.TensorMap property) E empty() (metatensor.Labels static method) (metatensor.torch.Labels static method) empty_like() (in module metatensor) empty_like_block() (in module metatensor) engine_cutoff (metatensor.torch.atomistic.NeighborsListOptions property) entry() (metatensor.Labels method) (metatensor.torch.Labels method) equal() (in module metatensor) equal_block() (in module metatensor) equal_block_raise() (in module metatensor) equal_metadata() (in module metatensor) equal_metadata_block() (in module metatensor) equal_metadata_block_raise() (in module metatensor) equal_metadata_raise() (in module metatensor) equal_raise() (in module metatensor) explicit_gradients (metatensor.torch.atomistic.ModelOutput attribute) export() (metatensor.torch.atomistic.MetatensorAtomisticModel method) ExternalCpuArray (class in metatensor.data) F forward() (metatensor.torch.atomistic.MetatensorAtomisticModel method) full_list (metatensor.torch.atomistic.NeighborsListOptions property) G get_data() (metatensor.torch.atomistic.System method) get_neighbors_list() (metatensor.torch.atomistic.System method) gradient() (metatensor.TensorBlock method) (metatensor.torch.TensorBlock method) gradients() (metatensor.TensorBlock method) (metatensor.torch.TensorBlock method) gradients_list() (metatensor.TensorBlock method) (metatensor.torch.TensorBlock method) H has_gradient() (metatensor.TensorBlock method) (metatensor.torch.TensorBlock method) I insert() (metatensor.Labels method) (metatensor.torch.Labels method) insert_dimension() (in module metatensor) intersection() (metatensor.Labels method) (metatensor.torch.Labels method) intersection_and_mapping() (metatensor.Labels method) (metatensor.torch.Labels method) is_view() (metatensor.Labels method) (metatensor.torch.Labels method) items() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) J join() (in module metatensor) K keys (metatensor.TensorMap property) (metatensor.torch.TensorMap property) keys_to_properties() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) keys_to_samples() (metatensor.TensorMap method) (metatensor.torch.TensorMap method) known_data() (metatensor.torch.atomistic.System method) known_neighbors_lists() (metatensor.torch.atomistic.System method) L Labels (class in metatensor) (class in metatensor.torch) LabelsEntry (class in metatensor.labels) (class in metatensor.torch) LabelsValues (class in metatensor.labels) length_unit (metatensor.torch.atomistic.ModelCapabilities attribute) (metatensor.torch.atomistic.ModelEvaluationOptions attribute) load() (in module metatensor) (in module metatensor.torch) load_buffer_custom_array() (in module metatensor.io) load_custom_array() (in module metatensor.io) lstsq() (in module metatensor) M mean_over_samples() (in module metatensor) mean_over_samples_block() (in module metatensor) metatensor.operations.checks module metatensor.operations.manipulate_dimension module metatensor.operations.reduce_over_samples module metatensor::DataArrayBase (C++ class) metatensor::DataArrayBase::copy (C++ function) metatensor::DataArrayBase::create (C++ function) metatensor::DataArrayBase::data (C++ function) metatensor::DataArrayBase::DataArrayBase (C++ function), [1] metatensor::DataArrayBase::move_samples_from (C++ function) metatensor::DataArrayBase::operator= (C++ function), [1] metatensor::DataArrayBase::origin (C++ function) metatensor::DataArrayBase::reshape (C++ function) metatensor::DataArrayBase::shape (C++ function) metatensor::DataArrayBase::swap_axes (C++ function) metatensor::DataArrayBase::to_mts_array_t (C++ function) metatensor::EmptyDataArray (C++ class) metatensor::EmptyDataArray::EmptyDataArray (C++ function), [1], [2] metatensor::EmptyDataArray::operator= (C++ function), [1] metatensor::Error (C++ class) metatensor::Error::Error (C++ function) metatensor::Labels (C++ class) metatensor::Labels::as_mts_labels_t (C++ function) metatensor::Labels::count (C++ function) metatensor::Labels::Labels (C++ function), [1], [2], [3], [4] metatensor::Labels::names (C++ function) metatensor::Labels::operator= (C++ function), [1] metatensor::Labels::position (C++ function), [1], [2], [3] metatensor::Labels::set_intersection (C++ function), [1] metatensor::Labels::set_union (C++ function), [1] metatensor::Labels::set_user_data (C++ function) metatensor::Labels::size (C++ function) metatensor::Labels::user_data (C++ function) metatensor::Labels::values (C++ function) metatensor::LabelsUserData (C++ class) metatensor::LabelsUserData::LabelsUserData (C++ function), [1], [2] metatensor::LabelsUserData::operator= (C++ function), [1] metatensor::NDArray (C++ class) metatensor::NDArray::data (C++ function), [1] metatensor::NDArray::is_empty (C++ function) metatensor::NDArray::is_view (C++ function) metatensor::NDArray::NDArray (C++ function), [1], [2], [3], [4], [5] metatensor::NDArray::operator() (C++ function), [1] metatensor::NDArray::operator= (C++ function), [1] metatensor::NDArray::shape (C++ function) metatensor::SimpleDataArray (C++ class) metatensor::SimpleDataArray::from_mts_array (C++ function), [1] metatensor::SimpleDataArray::operator= (C++ function), [1] metatensor::SimpleDataArray::SimpleDataArray (C++ function), [1], [2], [3] metatensor::SimpleDataArray::view (C++ function), [1] metatensor::TensorBlock (C++ class) metatensor::TensorBlock::add_gradient (C++ function) metatensor::TensorBlock::as_mts_block_t (C++ function), [1] metatensor::TensorBlock::clone (C++ function) metatensor::TensorBlock::clone_metadata_only (C++ function) metatensor::TensorBlock::components (C++ function) metatensor::TensorBlock::gradient (C++ function) metatensor::TensorBlock::gradients_list (C++ function) metatensor::TensorBlock::labels (C++ function) metatensor::TensorBlock::mts_array (C++ function) metatensor::TensorBlock::operator= (C++ function), [1] metatensor::TensorBlock::properties (C++ function) metatensor::TensorBlock::samples (C++ function) metatensor::TensorBlock::TensorBlock (C++ function), [1], [2] metatensor::TensorBlock::unsafe_from_ptr (C++ function) metatensor::TensorBlock::unsafe_view_from_ptr (C++ function) metatensor::TensorBlock::values (C++ function) metatensor::TensorBlock::values_shape (C++ function) metatensor::TensorMap (C++ class) metatensor::TensorMap::as_mts_tensormap_t (C++ function), [1] metatensor::TensorMap::block_by_id (C++ function) metatensor::TensorMap::blocks_matching (C++ function) metatensor::TensorMap::clone (C++ function) metatensor::TensorMap::clone_metadata_only (C++ function) metatensor::TensorMap::components_to_properties (C++ function), [1] metatensor::TensorMap::keys (C++ function) metatensor::TensorMap::keys_to_properties (C++ function), [1], [2] metatensor::TensorMap::keys_to_samples (C++ function), [1], [2] metatensor::TensorMap::load (C++ function) metatensor::TensorMap::load_buffer (C++ function), [1], [2] metatensor::TensorMap::operator= (C++ function), [1] metatensor::TensorMap::save (C++ function) metatensor::TensorMap::save_buffer (C++ function) metatensor::TensorMap::save_string_buffer (C++ function) metatensor::TensorMap::TensorMap (C++ function), [1], [2], [3] metatensor_torch::check_atomistic_model (C++ function) metatensor_torch::LabelsEntryHolder (C++ class) metatensor_torch::LabelsEntryHolder::device (C++ function) metatensor_torch::LabelsEntryHolder::getitem (C++ function) metatensor_torch::LabelsEntryHolder::LabelsEntryHolder (C++ function) metatensor_torch::LabelsEntryHolder::names (C++ function) metatensor_torch::LabelsEntryHolder::operator[] (C++ function), [1] metatensor_torch::LabelsEntryHolder::print (C++ function) metatensor_torch::LabelsEntryHolder::repr (C++ function) metatensor_torch::LabelsEntryHolder::size (C++ function) metatensor_torch::LabelsEntryHolder::values (C++ function) metatensor_torch::LabelsHolder (C++ class) metatensor_torch::LabelsHolder::append (C++ function) metatensor_torch::LabelsHolder::as_metatensor (C++ function) metatensor_torch::LabelsHolder::column (C++ function) metatensor_torch::LabelsHolder::count (C++ function) metatensor_torch::LabelsHolder::create (C++ function) metatensor_torch::LabelsHolder::device (C++ function) metatensor_torch::LabelsHolder::empty (C++ function) metatensor_torch::LabelsHolder::insert (C++ function) metatensor_torch::LabelsHolder::intersection_and_mapping (C++ function) metatensor_torch::LabelsHolder::is_view (C++ function) metatensor_torch::LabelsHolder::LabelsHolder (C++ function), [1] metatensor_torch::LabelsHolder::names (C++ function) metatensor_torch::LabelsHolder::permute (C++ function) metatensor_torch::LabelsHolder::position (C++ function) metatensor_torch::LabelsHolder::print (C++ function) metatensor_torch::LabelsHolder::range (C++ function) metatensor_torch::LabelsHolder::remove (C++ function) metatensor_torch::LabelsHolder::rename (C++ function) metatensor_torch::LabelsHolder::repr (C++ function) metatensor_torch::LabelsHolder::set_intersection (C++ function) metatensor_torch::LabelsHolder::set_union (C++ function) metatensor_torch::LabelsHolder::single (C++ function) metatensor_torch::LabelsHolder::size (C++ function) metatensor_torch::LabelsHolder::str (C++ function) metatensor_torch::LabelsHolder::to (C++ function), [1] metatensor_torch::LabelsHolder::to_owned (C++ function) metatensor_torch::LabelsHolder::union_and_mapping (C++ function) metatensor_torch::LabelsHolder::values (C++ function) metatensor_torch::LabelsHolder::view (C++ function) metatensor_torch::load (C++ function) metatensor_torch::load_atomistic_model (C++ function) metatensor_torch::ModelCapabilities (C++ type) metatensor_torch::ModelCapabilitiesHolder (C++ class) metatensor_torch::ModelCapabilitiesHolder::from_json (C++ function) metatensor_torch::ModelCapabilitiesHolder::length_unit (C++ member) metatensor_torch::ModelCapabilitiesHolder::ModelCapabilitiesHolder (C++ function) metatensor_torch::ModelCapabilitiesHolder::outputs (C++ member) metatensor_torch::ModelCapabilitiesHolder::species (C++ member) metatensor_torch::ModelCapabilitiesHolder::to_json (C++ function) metatensor_torch::ModelEvaluationOptions (C++ type) metatensor_torch::ModelEvaluationOptionsHolder (C++ class) metatensor_torch::ModelEvaluationOptionsHolder::from_json (C++ function) metatensor_torch::ModelEvaluationOptionsHolder::get_selected_atoms (C++ function) metatensor_torch::ModelEvaluationOptionsHolder::length_unit (C++ member) metatensor_torch::ModelEvaluationOptionsHolder::ModelEvaluationOptionsHolder (C++ function) metatensor_torch::ModelEvaluationOptionsHolder::outputs (C++ member) metatensor_torch::ModelEvaluationOptionsHolder::set_selected_atoms (C++ function) metatensor_torch::ModelEvaluationOptionsHolder::to_json (C++ function) metatensor_torch::ModelOutput (C++ type) metatensor_torch::ModelOutputHolder (C++ class) metatensor_torch::ModelOutputHolder::explicit_gradients (C++ member) metatensor_torch::ModelOutputHolder::from_json (C++ function) metatensor_torch::ModelOutputHolder::ModelOutputHolder (C++ function) metatensor_torch::ModelOutputHolder::per_atom (C++ member) metatensor_torch::ModelOutputHolder::quantity (C++ member) metatensor_torch::ModelOutputHolder::to_json (C++ function) metatensor_torch::ModelOutputHolder::unit (C++ member) metatensor_torch::NeighborsListOptions (C++ type) metatensor_torch::NeighborsListOptionsHolder (C++ class) metatensor_torch::NeighborsListOptionsHolder::add_requestor (C++ function) metatensor_torch::NeighborsListOptionsHolder::engine_cutoff (C++ function) metatensor_torch::NeighborsListOptionsHolder::from_json (C++ function) metatensor_torch::NeighborsListOptionsHolder::full_list (C++ function) metatensor_torch::NeighborsListOptionsHolder::model_cutoff (C++ function) metatensor_torch::NeighborsListOptionsHolder::NeighborsListOptionsHolder (C++ function) metatensor_torch::NeighborsListOptionsHolder::repr (C++ function) metatensor_torch::NeighborsListOptionsHolder::requestors (C++ function) metatensor_torch::NeighborsListOptionsHolder::set_engine_unit (C++ function) metatensor_torch::NeighborsListOptionsHolder::str (C++ function) metatensor_torch::NeighborsListOptionsHolder::to_json (C++ function) metatensor_torch::save (C++ function) metatensor_torch::System (C++ type) metatensor_torch::SystemHolder (C++ class) metatensor_torch::SystemHolder::add_data (C++ function) metatensor_torch::SystemHolder::add_neighbors_list (C++ function) metatensor_torch::SystemHolder::cell (C++ function) metatensor_torch::SystemHolder::device (C++ function) metatensor_torch::SystemHolder::get_data (C++ function) metatensor_torch::SystemHolder::get_neighbors_list (C++ function) metatensor_torch::SystemHolder::known_data (C++ function) metatensor_torch::SystemHolder::known_neighbors_lists (C++ function) metatensor_torch::SystemHolder::positions (C++ function) metatensor_torch::SystemHolder::scalar_type (C++ function) metatensor_torch::SystemHolder::set_cell (C++ function) metatensor_torch::SystemHolder::set_positions (C++ function) metatensor_torch::SystemHolder::set_species (C++ function) metatensor_torch::SystemHolder::size (C++ function) metatensor_torch::SystemHolder::species (C++ function) metatensor_torch::SystemHolder::str (C++ function) metatensor_torch::SystemHolder::SystemHolder (C++ function) metatensor_torch::SystemHolder::to (C++ function) metatensor_torch::TensorBlockHolder (C++ class) metatensor_torch::TensorBlockHolder::add_gradient (C++ function) metatensor_torch::TensorBlockHolder::as_metatensor (C++ function) metatensor_torch::TensorBlockHolder::components (C++ function) metatensor_torch::TensorBlockHolder::copy (C++ function) metatensor_torch::TensorBlockHolder::device (C++ function) metatensor_torch::TensorBlockHolder::gradient (C++ function) metatensor_torch::TensorBlockHolder::gradients (C++ function) metatensor_torch::TensorBlockHolder::gradients_list (C++ function) metatensor_torch::TensorBlockHolder::has_gradient (C++ function) metatensor_torch::TensorBlockHolder::labels (C++ function) metatensor_torch::TensorBlockHolder::properties (C++ function) metatensor_torch::TensorBlockHolder::repr (C++ function) metatensor_torch::TensorBlockHolder::samples (C++ function) metatensor_torch::TensorBlockHolder::scalar_type (C++ function) metatensor_torch::TensorBlockHolder::TensorBlockHolder (C++ function), [1] metatensor_torch::TensorBlockHolder::to (C++ function) metatensor_torch::TensorBlockHolder::values (C++ function) metatensor_torch::TensorMapHolder (C++ class) metatensor_torch::TensorMapHolder::as_metatensor (C++ function) metatensor_torch::TensorMapHolder::block (C++ function), [1], [2] metatensor_torch::TensorMapHolder::block_by_id (C++ function) metatensor_torch::TensorMapHolder::block_torch (C++ function) metatensor_torch::TensorMapHolder::blocks (C++ function), [1], [2], [3] metatensor_torch::TensorMapHolder::blocks_by_id (C++ function) metatensor_torch::TensorMapHolder::blocks_matching (C++ function) metatensor_torch::TensorMapHolder::blocks_torch (C++ function) metatensor_torch::TensorMapHolder::component_names (C++ function) metatensor_torch::TensorMapHolder::components_to_properties (C++ function) metatensor_torch::TensorMapHolder::copy (C++ function) metatensor_torch::TensorMapHolder::device (C++ function) metatensor_torch::TensorMapHolder::items (C++ function) metatensor_torch::TensorMapHolder::keys (C++ function) metatensor_torch::TensorMapHolder::keys_to_properties (C++ function) metatensor_torch::TensorMapHolder::keys_to_samples (C++ function) metatensor_torch::TensorMapHolder::load (C++ function) metatensor_torch::TensorMapHolder::load_buffer (C++ function) metatensor_torch::TensorMapHolder::print (C++ function) metatensor_torch::TensorMapHolder::property_names (C++ function) metatensor_torch::TensorMapHolder::sample_names (C++ function) metatensor_torch::TensorMapHolder::save (C++ function) metatensor_torch::TensorMapHolder::scalar_type (C++ function) metatensor_torch::TensorMapHolder::TensorMapHolder (C++ function) metatensor_torch::TensorMapHolder::to (C++ function) metatensor_torch::TorchLabels (C++ type) metatensor_torch::TorchLabelsEntry (C++ type) metatensor_torch::TorchTensorBlock (C++ type) metatensor_torch::TorchTensorMap (C++ type) metatensor_torch::version (C++ function) MetatensorAtomisticModel (class in metatensor.torch.atomistic) MetatensorCalculator (class in metatensor.torch.atomistic.ase_calculator) MetatensorError (class in metatensor) model_cutoff (metatensor.torch.atomistic.NeighborsListOptions property) ModelCapabilities (class in metatensor.torch.atomistic) ModelEvaluationOptions (class in metatensor.torch.atomistic) ModelOutput (class in metatensor.torch.atomistic) module metatensor.operations.checks metatensor.operations.manipulate_dimension metatensor.operations.reduce_over_samples mts_array_t (C struct) mts_array_t.copy (C var) mts_array_t.create (C var) mts_array_t.data (C var) mts_array_t.destroy (C var) mts_array_t.move_samples_from (C var) mts_array_t.origin (C var) mts_array_t.ptr (C var) mts_array_t.reshape (C var) mts_array_t.shape (C var) mts_array_t.swap_axes (C var) mts_block (C function) mts_block_add_gradient (C function) mts_block_copy (C function) mts_block_data (C function) mts_block_free (C function) mts_block_gradients_list (C function) mts_block_labels (C function) mts_block_t (C type) MTS_BUFFER_SIZE_ERROR (C macro) mts_create_array_callback_t (C type) mts_get_data_origin (C function) MTS_INTERNAL_ERROR (C macro) MTS_INVALID_PARAMETER_ERROR (C macro) mts_labels_clone (C function) mts_labels_create (C function) mts_labels_free (C function) mts_labels_intersection (C function) mts_labels_position (C function) mts_labels_set_user_data (C function) mts_labels_t (C struct) mts_labels_t.count (C var) mts_labels_t.internal_ptr_ (C var) mts_labels_t.names (C var) mts_labels_t.size (C var) mts_labels_t.values (C var) mts_labels_union (C function) mts_labels_user_data (C function) mts_last_error (C function) mts_register_data_origin (C function) mts_status_t (C type) MTS_SUCCESS (C macro) mts_tensormap (C function) mts_tensormap_block_by_id (C function) mts_tensormap_blocks_matching (C function) mts_tensormap_components_to_properties (C function) mts_tensormap_copy (C function) mts_tensormap_free (C function) mts_tensormap_keys (C function) mts_tensormap_keys_to_properties (C function) mts_tensormap_keys_to_samples (C function) mts_tensormap_load (C function) mts_tensormap_load_buffer (C function) mts_tensormap_save (C function) mts_tensormap_save_buffer (C function) mts_tensormap_t (C type) multiply() (in module metatensor) N names (metatensor.Labels property) (metatensor.labels.LabelsEntry property) (metatensor.torch.Labels property) (metatensor.torch.LabelsEntry property) NeighborsListOptions (class in metatensor.torch.atomistic) NotEqualError() (in module metatensor) O one_hot() (in module metatensor) ones_like() (in module metatensor) ones_like_block() (in module metatensor) outputs (metatensor.torch.atomistic.ModelCapabilities attribute) (metatensor.torch.atomistic.ModelEvaluationOptions attribute) P per_atom (metatensor.torch.atomistic.ModelOutput attribute) permute() (metatensor.Labels method) (metatensor.torch.Labels method) permute_dimensions() (in module metatensor) position() (metatensor.Labels method) (metatensor.torch.Labels method) positions (metatensor.torch.atomistic.System property) pow() (in module metatensor) print() (metatensor.Labels method) (metatensor.labels.LabelsEntry method) (metatensor.TensorMap method) (metatensor.torch.Labels method) (metatensor.torch.LabelsEntry method) (metatensor.torch.TensorMap method) properties (metatensor.TensorBlock property) (metatensor.torch.TensorBlock property) property_names (metatensor.TensorMap property) (metatensor.torch.TensorMap property) Q quantity (metatensor.torch.atomistic.ModelOutput attribute) R random_uniform_like() (in module metatensor) random_uniform_like_block() (in module metatensor) range() (metatensor.Labels static method) (metatensor.torch.Labels static method) register_external_data_wrapper() (in module metatensor.data) remove() (metatensor.Labels method) (metatensor.torch.Labels method) remove_dimension() (in module metatensor) remove_gradients() (in module metatensor) remove_gradients_block() (in module metatensor) rename() (metatensor.Labels method) (metatensor.torch.Labels method) rename_dimension() (in module metatensor) requested_neighbors_lists() (metatensor.torch.atomistic.MetatensorAtomisticModel method) requestors() (metatensor.torch.atomistic.NeighborsListOptions method) requires_grad() (in module metatensor) requires_grad_block() (in module metatensor) run_model() (metatensor.torch.atomistic.ase_calculator.MetatensorCalculator method) S sample_names (metatensor.TensorMap property) (metatensor.torch.TensorMap property) samples (metatensor.TensorBlock property) (metatensor.torch.TensorBlock property) save() (in module metatensor) (in module metatensor.torch) selected_atoms (metatensor.torch.atomistic.ModelEvaluationOptions attribute) set_engine_unit() (metatensor.torch.atomistic.NeighborsListOptions method) single() (metatensor.Labels static method) (metatensor.torch.Labels static method) slice() (in module metatensor) slice_block() (in module metatensor) solve (class in metatensor) sort() (in module metatensor) sort_block() (in module metatensor) species (metatensor.torch.atomistic.ModelCapabilities attribute) (metatensor.torch.atomistic.System property) split() (in module metatensor) split_block() (in module metatensor) std_over_samples() (in module metatensor) std_over_samples_block() (in module metatensor) subtract() (in module metatensor) sum_over_samples() (in module metatensor) sum_over_samples_block() (in module metatensor) System (class in metatensor.torch.atomistic) T TensorBlock (class in metatensor) (class in metatensor.torch) TensorMap (class in metatensor) (class in metatensor.torch) to() (metatensor.Labels method) (metatensor.TensorBlock method) (metatensor.TensorMap method) (metatensor.torch.atomistic.System method) (metatensor.torch.Labels method) (metatensor.torch.TensorBlock method) (metatensor.torch.TensorMap method) to_owned() (metatensor.Labels method) (metatensor.torch.Labels method) U union() (metatensor.Labels method) (metatensor.torch.Labels method) union_and_mapping() (metatensor.Labels method) (metatensor.torch.Labels method) unique_metadata() (in module metatensor) unique_metadata_block() (in module metatensor) unit (metatensor.torch.atomistic.ModelOutput attribute) unsafe_disable_checks() (in module metatensor) unsafe_enable_checks() (in module metatensor) V values (metatensor.Labels property) (metatensor.labels.LabelsEntry property) (metatensor.TensorBlock property) (metatensor.torch.Labels property) (metatensor.torch.LabelsEntry property) (metatensor.torch.TensorBlock property) var_over_samples() (in module metatensor) var_over_samples_block() (in module metatensor) view() (metatensor.Labels method) (metatensor.torch.Labels method) W wrapped_module() (metatensor.torch.atomistic.MetatensorAtomisticModel method) Z zeros_like() (in module metatensor) zeros_like_block() (in module metatensor)