API

Index

• FreeBird.AbstractHamiltonians
• FreeBird.AbstractLiveSets
• FreeBird.AbstractPotentials
• FreeBird.AbstractWalkers
• FreeBird.AnalysisTools
• FreeBird.EnergyEval
• FreeBird.FreeBirdIO
• FreeBird.MonteCarloMoves
• FreeBird.SamplingSchemes
• FreeBird.AbstractHamiltonians.ClusterInteraction
• FreeBird.AbstractHamiltonians.ClusterLatticeHamiltonian
• FreeBird.AbstractHamiltonians.GenericLatticeHamiltonian
• FreeBird.AbstractHamiltonians.MLatticeHamiltonian
• FreeBird.AbstractHamiltonians.SiteFieldLatticeHamiltonian
• FreeBird.AbstractLiveSets.GenericAtomWalkers
• FreeBird.AbstractLiveSets.GuptaAtomWalkers
• FreeBird.AbstractLiveSets.LJAtomWalkers
• FreeBird.AbstractLiveSets.LJSurfaceWalkers
• FreeBird.AbstractLiveSets.LJSurfaceWalkers
• FreeBird.AbstractLiveSets.LatticeGasWalkers
• FreeBird.AbstractLiveSets.MLIPAtomWalkers
• FreeBird.AbstractPotentials.AbstractPotential
• FreeBird.AbstractPotentials.CompositeParameterSets
• FreeBird.AbstractPotentials.CompositeParameterSets
• FreeBird.AbstractPotentials.GuptaParameters
• FreeBird.AbstractPotentials.GuptaParameters
• FreeBird.AbstractPotentials.IdealGasParameters
• FreeBird.AbstractPotentials.LJParameters
• FreeBird.AbstractPotentials.LJParameters
• FreeBird.AbstractPotentials.ManyBody
• FreeBird.AbstractPotentials.MultiComponentPotential
• FreeBird.AbstractPotentials.Pairwise
• FreeBird.AbstractPotentials.PotentialStyle
• FreeBird.AbstractPotentials.PyMLPotential
• FreeBird.AbstractPotentials.SingleComponentPotential
• FreeBird.AbstractWalkers.AtomWalker
• FreeBird.AbstractWalkers.AtomWalker
• FreeBird.AbstractWalkers.LatticeGeometry
• FreeBird.AbstractWalkers.LatticeWalker
• FreeBird.AbstractWalkers.MLattice
• FreeBird.FreeBirdIO.DataSavingStrategy
• FreeBird.FreeBirdIO.SaveEveryN
• FreeBird.FreeBirdIO.SaveFreePartEveryN
• FreeBird.SamplingSchemes.AtomisticIGRefGCNSParameters
• FreeBird.SamplingSchemes.AtomisticIGRefGCNSParameters
• FreeBird.SamplingSchemes.GrandCanonicalNestedSamplingParameters
• FreeBird.SamplingSchemes.GrandCanonicalNestedSamplingParameters
• FreeBird.SamplingSchemes.IdealGasReferencedGCNSParameters
• FreeBird.SamplingSchemes.IdealGasReferencedGCNSParameters
• FreeBird.SamplingSchemes.MCAtomGrandCanonicalMoves
• FreeBird.SamplingSchemes.MCDistributed
• FreeBird.SamplingSchemes.MCGalileanWalk
• FreeBird.SamplingSchemes.MCGrandCanonicalMoves
• FreeBird.SamplingSchemes.MCMixedMoves
• FreeBird.SamplingSchemes.MCMixedMovesParallel
• FreeBird.SamplingSchemes.MCNewSample
• FreeBird.SamplingSchemes.MCRandomWalkClone
• FreeBird.SamplingSchemes.MCRandomWalkCloneParallel
• FreeBird.SamplingSchemes.MCRandomWalkMaxE
• FreeBird.SamplingSchemes.MCRandomWalkMaxEParallel
• FreeBird.SamplingSchemes.MCRejectionSampling
• FreeBird.SamplingSchemes.MCRoutine
• FreeBird.SamplingSchemes.MCRoutineParallel
• FreeBird.SamplingSchemes.MetropolisMCParameters
• FreeBird.SamplingSchemes.MuVTMCParameters
• FreeBird.SamplingSchemes.NestedSamplingParameters
• FreeBird.SamplingSchemes.SamplingParameters
• FreeBird.SamplingSchemes.WangLandauParameters
• FreeBird.SamplingSchemes.WangLandauParameters
• FreeBird.AbstractHamiltonians._coupling_type
• FreeBird.AbstractHamiltonians.supports_site_deltas
• FreeBird.AbstractLiveSets._check_cluster_sites
• FreeBird.AbstractLiveSets._check_field_length
• FreeBird.AbstractLiveSets._warn_uncoupled_shells
• FreeBird.AbstractLiveSets.assign_energy!
• FreeBird.AbstractLiveSets.assign_energy!
• FreeBird.AbstractLiveSets.assign_energy!
• FreeBird.AbstractLiveSets.assign_energy!
• FreeBird.AbstractLiveSets.assign_energy!
• FreeBird.AbstractLiveSets.assign_frozen_energy!
• FreeBird.AbstractPotentials._max_interaction_range
• FreeBird.AbstractPotentials.chgnet_model
• FreeBird.AbstractPotentials.gupta_attraction_squared
• FreeBird.AbstractPotentials.gupta_repulsion
• FreeBird.AbstractPotentials.lj_energy
• FreeBird.AbstractPotentials.lj_energy
• FreeBird.AbstractPotentials.mace_model
• FreeBird.AbstractPotentials.many_body_energy
• FreeBird.AbstractPotentials.orb_model
• FreeBird.AbstractPotentials.pair_energy
• FreeBird.AbstractPotentials.pair_energy
• FreeBird.AbstractPotentials.total_energy
• FreeBird.AbstractPotentials.two_body_energy
• FreeBird.AbstractPotentials.uma_model
• FreeBird.AbstractPotentials.upet_model
• FreeBird.AbstractWalkers._check_planar_basis
• FreeBird.AbstractWalkers._minimum_image_distance
• FreeBird.AbstractWalkers._out_of_plane_spacing
• FreeBird.AbstractWalkers.bragg_amplitude
• FreeBird.AbstractWalkers.bragg_amplitude
• FreeBird.AbstractWalkers.check_num_components
• FreeBird.AbstractWalkers.compute_neighbors
• FreeBird.AbstractWalkers.custom_sort
• FreeBird.AbstractWalkers.enumerate_motif_embeddings
• FreeBird.AbstractWalkers.enumerate_motif_embeddings
• FreeBird.AbstractWalkers.insert_particle!
• FreeBird.AbstractWalkers.lattice_positions
• FreeBird.AbstractWalkers.layer_coverage
• FreeBird.AbstractWalkers.layer_field
• FreeBird.AbstractWalkers.merge_components
• FreeBird.AbstractWalkers.mlattice_setup
• FreeBird.AbstractWalkers.motif_distances
• FreeBird.AbstractWalkers.num_sites
• FreeBird.AbstractWalkers.occupancy_profile
• FreeBird.AbstractWalkers.occupied_site_count
• FreeBird.AbstractWalkers.order_parameter_c2x2
• FreeBird.AbstractWalkers.order_parameter_p2x2
• FreeBird.AbstractWalkers.order_parameter_sqrt3
• FreeBird.AbstractWalkers.order_parameter_stripe
• FreeBird.AbstractWalkers.remove_particle!
• FreeBird.AbstractWalkers.replicate_walkers
• FreeBird.AbstractWalkers.site_layers
• FreeBird.AbstractWalkers.sort_components_by_atomic_number
• FreeBird.AbstractWalkers.split_components
• FreeBird.AbstractWalkers.split_components_by_chemical_species
• FreeBird.AbstractWalkers.split_into_subarrays
• FreeBird.AbstractWalkers.update_walker!
• FreeBird.AbstractWalkers.view_structure
• FreeBird.AnalysisTools._fixed_N_log_evidence
• FreeBird.AnalysisTools._log_binomial
• FreeBird.AnalysisTools._log_factorial
• FreeBird.AnalysisTools._log_poisson_partial_sum
• FreeBird.AnalysisTools._thermal_wavelength
• FreeBird.AnalysisTools.caloric_derivatives
• FreeBird.AnalysisTools.cv
• FreeBird.AnalysisTools.cv
• FreeBird.AnalysisTools.cv
• FreeBird.AnalysisTools.gc_effective_sample_size_ideal_ref
• FreeBird.AnalysisTools.gc_thermodynamic_stats
• FreeBird.AnalysisTools.gc_thermodynamic_stats
• FreeBird.AnalysisTools.gc_thermodynamic_stats_fixed_N
• FreeBird.AnalysisTools.gc_thermodynamic_stats_fixed_N
• FreeBird.AnalysisTools.gc_thermodynamic_stats_ideal_ref
• FreeBird.AnalysisTools.gc_thermodynamic_stats_ideal_ref
• FreeBird.AnalysisTools.inflection_transitions
• FreeBird.AnalysisTools.internal_energy
• FreeBird.AnalysisTools.kish_effective_sample_size
• FreeBird.AnalysisTools.microcanonical_entropy
• FreeBird.AnalysisTools.partition_function
• FreeBird.AnalysisTools.read_output
• FreeBird.AnalysisTools.reference_activity_temperature
• FreeBird.AnalysisTools.transition_convergence
• FreeBird.AnalysisTools.ωᵢ
• FreeBird.AnalysisTools.ωᵢ
• FreeBird.EnergyEval._check_shell_counts
• FreeBird.EnergyEval.cluster_energy
• FreeBird.EnergyEval.frozen_energy
• FreeBird.EnergyEval.frozen_energy
• FreeBird.EnergyEval.inter_component_energy
• FreeBird.EnergyEval.inter_component_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_energy
• FreeBird.EnergyEval.interacting_gradient
• FreeBird.EnergyEval.intra_component_energy
• FreeBird.EnergyEval.intra_component_energy
• FreeBird.EnergyEval.lattice_interaction_energy
• FreeBird.EnergyEval.pair_force
• FreeBird.EnergyEval.pbc_displacement
• FreeBird.EnergyEval.pbc_dist
• FreeBird.EnergyEval.single_site_energy
• FreeBird.EnergyEval.site_field_energy
• FreeBird.EnergyEval.site_flip_delta
• FreeBird.EnergyEval.site_flip_delta
• FreeBird.EnergyEval.site_flip_delta
• FreeBird.FreeBirdIO.append_system
• FreeBird.FreeBirdIO.append_system
• FreeBird.FreeBirdIO.append_walker
• FreeBird.FreeBirdIO.convert_system_to_walker
• FreeBird.FreeBirdIO.convert_walker_to_system
• FreeBird.FreeBirdIO.generate_initial_configs
• FreeBird.FreeBirdIO.generate_initial_configs
• FreeBird.FreeBirdIO.generate_lattice_starting_config
• FreeBird.FreeBirdIO.generate_multi_type_random_starting_config
• FreeBird.FreeBirdIO.generate_random_starting_config
• FreeBird.FreeBirdIO.read_configs
• FreeBird.FreeBirdIO.read_configs
• FreeBird.FreeBirdIO.read_single_config
• FreeBird.FreeBirdIO.read_single_config
• FreeBird.FreeBirdIO.read_single_walker
• FreeBird.FreeBirdIO.read_walkers
• FreeBird.FreeBirdIO.set_pbc
• FreeBird.FreeBirdIO.write_df
• FreeBird.FreeBirdIO.write_df_every_n
• FreeBird.FreeBirdIO.write_ls_every_n
• FreeBird.FreeBirdIO.write_single_walker
• FreeBird.FreeBirdIO.write_single_walker
• FreeBird.FreeBirdIO.write_walker_every_n
• FreeBird.FreeBirdIO.write_walkers
• FreeBird.FreeBirdIO.write_walkers
• FreeBird.MonteCarloMoves.MC_cluster_walk!
• FreeBird.MonteCarloMoves.MC_galilean_walk!
• FreeBird.MonteCarloMoves.MC_grand_canonical_walk!
• FreeBird.MonteCarloMoves.MC_grand_canonical_walk!
• FreeBird.MonteCarloMoves.MC_grand_canonical_walk!
• FreeBird.MonteCarloMoves.MC_mixed_moves!
• FreeBird.MonteCarloMoves.MC_muVT_walk!
• FreeBird.MonteCarloMoves.MC_new_sample!
• FreeBird.MonteCarloMoves.MC_random_swap!
• FreeBird.MonteCarloMoves.MC_random_walk!
• FreeBird.MonteCarloMoves.MC_random_walk!
• FreeBird.MonteCarloMoves.MC_random_walk!
• FreeBird.MonteCarloMoves.MC_random_walk!
• FreeBird.MonteCarloMoves.MC_random_walk_2D!
• FreeBird.MonteCarloMoves.MC_rejection_sampling!
• FreeBird.MonteCarloMoves._apply_cluster_pairs!
• FreeBird.MonteCarloMoves._build_geometric_cluster
• FreeBird.MonteCarloMoves._gc_revert_move!
• FreeBird.MonteCarloMoves._grid_to_site
• FreeBird.MonteCarloMoves._lattice_walk_apply!
• FreeBird.MonteCarloMoves._lattice_walk_draw!
• FreeBird.MonteCarloMoves._reflect_site
• FreeBird.MonteCarloMoves._site_to_grid
• FreeBird.MonteCarloMoves._tri_halfgrid_to_site
• FreeBird.MonteCarloMoves._tri_reflect_site
• FreeBird.MonteCarloMoves._tri_site_to_halfgrid
• FreeBird.MonteCarloMoves.continuous_cavity_cells
• FreeBird.MonteCarloMoves.free_component_index
• FreeBird.MonteCarloMoves.free_par_index
• FreeBird.MonteCarloMoves.gc_insert_acceptance_ratio
• FreeBird.MonteCarloMoves.generate_random_new_lattice_sample!
• FreeBird.MonteCarloMoves.generate_random_new_lattice_sample!
• FreeBird.MonteCarloMoves.geometric_cluster_swap!
• FreeBird.MonteCarloMoves.geometric_cluster_swap!
• FreeBird.MonteCarloMoves.geometric_cluster_swap!
• FreeBird.MonteCarloMoves.lattice_biased_sites
• FreeBird.MonteCarloMoves.lattice_delete_particle!
• FreeBird.MonteCarloMoves.lattice_insert_particle!
• FreeBird.MonteCarloMoves.lattice_random_walk!
• FreeBird.MonteCarloMoves.lattice_random_walk!
• FreeBird.MonteCarloMoves.mean_sq_displacement
• FreeBird.MonteCarloMoves.periodic_boundary_wrap!
• FreeBird.MonteCarloMoves.random_microstate!
• FreeBird.MonteCarloMoves.single_atom_random_walk!
• FreeBird.MonteCarloMoves.single_atom_random_walk!
• FreeBird.MonteCarloMoves.swap_empty_occupied_sites!
• FreeBird.MonteCarloMoves.swap_occupied_sites_across_components!
• FreeBird.MonteCarloMoves.two_atoms_swap!
• FreeBird.SamplingSchemes.LatticeNestedSamplingParameters
• FreeBird.SamplingSchemes._accumulate_cluster_stats!
• FreeBird.SamplingSchemes._accumulate_move_stats!
• FreeBird.SamplingSchemes._atomistic_igref_z0V
• FreeBird.SamplingSchemes._atomistic_igref_z0V
• FreeBird.SamplingSchemes._clone_walker_shared_geometry
• FreeBird.SamplingSchemes._grand_potential
• FreeBird.SamplingSchemes._grand_potential
• FreeBird.SamplingSchemes._init_atomistic_igref_walkers!
• FreeBird.SamplingSchemes._init_atomistic_igref_walkers!
• FreeBird.SamplingSchemes._init_gc_walkers!
• FreeBird.SamplingSchemes._init_ideal_gas_ref_walkers!
• FreeBird.SamplingSchemes._move_rate_columns
• FreeBird.SamplingSchemes._perturbation_energy_bound
• FreeBird.SamplingSchemes._reanchor_igref_energies!
• FreeBird.SamplingSchemes._sort_by_grand_potential!
• FreeBird.SamplingSchemes._tie_block_length
• FreeBird.SamplingSchemes._tie_block_length
• FreeBird.SamplingSchemes._validate_observables
• FreeBird.SamplingSchemes._warn_min_image_cutoff
• FreeBird.SamplingSchemes._warn_perturbation_scale
• FreeBird.SamplingSchemes.adjust_cluster_p
• FreeBird.SamplingSchemes.adjust_step_size
• FreeBird.SamplingSchemes.estimate_temperature
• FreeBird.SamplingSchemes.exact_enumeration
• FreeBird.SamplingSchemes.grand_canonical_nested_sampling
• FreeBird.SamplingSchemes.ideal_gas_referenced_nested_sampling
• FreeBird.SamplingSchemes.ideal_gas_referenced_nested_sampling
• FreeBird.SamplingSchemes.monte_carlo_sampling
• FreeBird.SamplingSchemes.monte_carlo_sampling
• FreeBird.SamplingSchemes.monte_carlo_sampling
• FreeBird.SamplingSchemes.nested_sampling
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nested_sampling_step!
• FreeBird.SamplingSchemes.nvt_monte_carlo
• FreeBird.SamplingSchemes.nvt_monte_carlo
• FreeBird.SamplingSchemes.sort_by_energy!
• FreeBird.SamplingSchemes.update_iter!
• FreeBird.SamplingSchemes.wang_landau