Index _ | A | C | D | E | F | G | I | K | L | M | N | O | P | Q | R | S | T | U _ __eq__() (metatomic.torch.NeighborListOptions method) __ne__() (metatomic.torch.NeighborListOptions method) A add_data() (metatomic.torch.System method) add_neighbor_list() (metatomic.torch.System method) add_requestor() (metatomic.torch.NeighborListOptions method) additional_outputs (metatomic.torch.ase_calculator.MetatomicCalculator attribute) atomic_types (metatomic.torch.ModelCapabilities attribute) AtomisticModel (class in metatomic.torch) authors (metatomic.torch.ModelMetadata attribute) C calculate() (metatomic.torch.ase_calculator.MetatomicCalculator method) capabilities() (metatomic.torch.AtomisticModel method) cell (metatomic.torch.System property) check_atomistic_model() (in module metatomic.torch) compute_energy() (metatomic.torch.ase_calculator.MetatomicCalculator method) cutoff (metatomic.torch.NeighborListOptions property) D description (metatomic.torch.ModelMetadata attribute) device (metatomic.torch.System property) dtype (metatomic.torch.ModelCapabilities property) (metatomic.torch.System property) E engine_cutoff() (metatomic.torch.NeighborListOptions method) engine_interaction_range() (metatomic.torch.ModelCapabilities method) explicit_gradients (metatomic.torch.ModelOutput attribute) export() (metatomic.torch.AtomisticModel method) extra (metatomic.torch.ModelMetadata attribute) F forward() (metatomic.torch.AtomisticModel method) (metatomic.torch.ModelInterface method) full_list (metatomic.torch.NeighborListOptions property) G get_data() (metatomic.torch.System method) get_neighbor_list() (metatomic.torch.System method) I interaction_range (metatomic.torch.ModelCapabilities attribute) K known_data() (metatomic.torch.System method) known_neighbor_lists() (metatomic.torch.System method) L length_unit (metatomic.torch.ModelCapabilities property) (metatomic.torch.ModelEvaluationOptions property) (metatomic.torch.NeighborListOptions property) load_atomistic_model() (in module metatomic.torch) load_model_extensions() (in module metatomic.torch) load_system() (in module metatomic.torch) M metadata() (metatomic.torch.ase_calculator.MetatomicCalculator method) (metatomic.torch.AtomisticModel method) metatomic_torch::check_atomistic_model (C++ function) metatomic_torch::load_atomistic_model (C++ function) metatomic_torch::load_model_extensions (C++ function) metatomic_torch::ModelCapabilities (C++ type) metatomic_torch::ModelCapabilitiesHolder (C++ class) metatomic_torch::ModelCapabilitiesHolder::atomic_types (C++ member) metatomic_torch::ModelCapabilitiesHolder::dtype (C++ function) metatomic_torch::ModelCapabilitiesHolder::engine_interaction_range (C++ function) metatomic_torch::ModelCapabilitiesHolder::from_json (C++ function) metatomic_torch::ModelCapabilitiesHolder::interaction_range (C++ member) metatomic_torch::ModelCapabilitiesHolder::length_unit (C++ function) metatomic_torch::ModelCapabilitiesHolder::ModelCapabilitiesHolder (C++ function) metatomic_torch::ModelCapabilitiesHolder::outputs (C++ function) metatomic_torch::ModelCapabilitiesHolder::set_dtype (C++ function) metatomic_torch::ModelCapabilitiesHolder::set_length_unit (C++ function) metatomic_torch::ModelCapabilitiesHolder::set_outputs (C++ function) metatomic_torch::ModelCapabilitiesHolder::supported_devices (C++ member) metatomic_torch::ModelCapabilitiesHolder::to_json (C++ function) metatomic_torch::ModelEvaluationOptions (C++ type) metatomic_torch::ModelEvaluationOptionsHolder (C++ class) metatomic_torch::ModelEvaluationOptionsHolder::from_json (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::get_selected_atoms (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::length_unit (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::ModelEvaluationOptionsHolder (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::outputs (C++ member) metatomic_torch::ModelEvaluationOptionsHolder::set_length_unit (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::set_selected_atoms (C++ function) metatomic_torch::ModelEvaluationOptionsHolder::to_json (C++ function) metatomic_torch::ModelMetadata (C++ type) metatomic_torch::ModelMetadataHolder (C++ class) metatomic_torch::ModelMetadataHolder::authors (C++ member) metatomic_torch::ModelMetadataHolder::description (C++ member) metatomic_torch::ModelMetadataHolder::extra (C++ member) metatomic_torch::ModelMetadataHolder::from_json (C++ function) metatomic_torch::ModelMetadataHolder::ModelMetadataHolder (C++ function) metatomic_torch::ModelMetadataHolder::name (C++ member) metatomic_torch::ModelMetadataHolder::print (C++ function) metatomic_torch::ModelMetadataHolder::references (C++ member) metatomic_torch::ModelMetadataHolder::to_json (C++ function) metatomic_torch::ModelOutput (C++ type) metatomic_torch::ModelOutputHolder (C++ class) metatomic_torch::ModelOutputHolder::explicit_gradients (C++ member) metatomic_torch::ModelOutputHolder::from_json (C++ function) metatomic_torch::ModelOutputHolder::ModelOutputHolder (C++ function) metatomic_torch::ModelOutputHolder::per_atom (C++ member) metatomic_torch::ModelOutputHolder::quantity (C++ function) metatomic_torch::ModelOutputHolder::set_quantity (C++ function) metatomic_torch::ModelOutputHolder::set_unit (C++ function) metatomic_torch::ModelOutputHolder::to_json (C++ function) metatomic_torch::ModelOutputHolder::unit (C++ function) metatomic_torch::NeighborListOptions (C++ type) metatomic_torch::NeighborListOptionsHolder (C++ class) metatomic_torch::NeighborListOptionsHolder::add_requestor (C++ function) metatomic_torch::NeighborListOptionsHolder::cutoff (C++ function) metatomic_torch::NeighborListOptionsHolder::engine_cutoff (C++ function) metatomic_torch::NeighborListOptionsHolder::from_json (C++ function) metatomic_torch::NeighborListOptionsHolder::full_list (C++ function) metatomic_torch::NeighborListOptionsHolder::length_unit (C++ function) metatomic_torch::NeighborListOptionsHolder::NeighborListOptionsHolder (C++ function) metatomic_torch::NeighborListOptionsHolder::repr (C++ function) metatomic_torch::NeighborListOptionsHolder::requestors (C++ function) metatomic_torch::NeighborListOptionsHolder::set_length_unit (C++ function) metatomic_torch::NeighborListOptionsHolder::str (C++ function) metatomic_torch::NeighborListOptionsHolder::strict (C++ function) metatomic_torch::NeighborListOptionsHolder::to_json (C++ function) metatomic_torch::System (C++ type) metatomic_torch::SystemHolder (C++ class) metatomic_torch::SystemHolder::add_data (C++ function) metatomic_torch::SystemHolder::add_neighbor_list (C++ function) metatomic_torch::SystemHolder::cell (C++ function) metatomic_torch::SystemHolder::device (C++ function) metatomic_torch::SystemHolder::get_data (C++ function) metatomic_torch::SystemHolder::get_neighbor_list (C++ function) metatomic_torch::SystemHolder::known_data (C++ function) metatomic_torch::SystemHolder::known_neighbor_lists (C++ function) metatomic_torch::SystemHolder::pbc (C++ function) metatomic_torch::SystemHolder::positions (C++ function) metatomic_torch::SystemHolder::scalar_type (C++ function) metatomic_torch::SystemHolder::set_cell (C++ function) metatomic_torch::SystemHolder::set_pbc (C++ function) metatomic_torch::SystemHolder::set_positions (C++ function) metatomic_torch::SystemHolder::set_types (C++ function) metatomic_torch::SystemHolder::size (C++ function) metatomic_torch::SystemHolder::str (C++ function) metatomic_torch::SystemHolder::SystemHolder (C++ function) metatomic_torch::SystemHolder::to (C++ function) metatomic_torch::SystemHolder::to_positional (C++ function) metatomic_torch::SystemHolder::types (C++ function) metatomic_torch::unit_conversion_factor (C++ function) MetatomicCalculator (class in metatomic.torch.ase_calculator) ModelCapabilities (class in metatomic.torch) ModelEvaluationOptions (class in metatomic.torch) ModelInterface (class in metatomic.torch) ModelMetadata (class in metatomic.torch) ModelOutput (class in metatomic.torch) module (metatomic.torch.AtomisticModel attribute) N name (metatomic.torch.ModelMetadata attribute) NeighborListOptions (class in metatomic.torch) O outputs (metatomic.torch.ModelCapabilities property) (metatomic.torch.ModelEvaluationOptions attribute) P pbc (metatomic.torch.System property) per_atom (metatomic.torch.ModelOutput attribute) positions (metatomic.torch.System property) Q quantity (metatomic.torch.ModelOutput property) R read_model_metadata() (in module metatomic.torch) references (metatomic.torch.ModelMetadata attribute) register_autograd_neighbors() (in module metatomic.torch) requested_neighbor_lists() (metatomic.torch.AtomisticModel method) (metatomic.torch.ModelInterface method) requestors() (metatomic.torch.NeighborListOptions method) run_model() (metatomic.torch.ase_calculator.MetatomicCalculator method) S save() (in module metatomic.torch) (metatomic.torch.AtomisticModel method) selected_atoms (metatomic.torch.ModelEvaluationOptions property) strict (metatomic.torch.NeighborListOptions property) supported_devices (metatomic.torch.ModelCapabilities attribute) System (class in metatomic.torch) systems_to_torch() (in module metatomic.torch) T to() (metatomic.torch.System method) todict() (metatomic.torch.ase_calculator.MetatomicCalculator method) types (metatomic.torch.System property) U unit (metatomic.torch.ModelOutput property) unit_conversion_factor() (in module metatomic.torch)