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  • libcasm.monte
    • MethodLog
      • begin_lap
      • begin_section_print_always
      • begin_section_print_if_debug
      • begin_section_print_if_quiet
      • begin_section_print_if_standard
      • begin_section_print_if_verbose
      • decrease_indent
      • end_section
      • hide_clock
      • increase_indent
      • indent_str
      • lap_time
      • log_frequency
      • logfile_path
      • paragraph
      • paragraph_justification
      • paragraph_width
      • print
      • reset
      • reset_to_stdout
      • restart_clock
      • section
      • set_debug
      • set_indent_space
      • set_initial_indent_space
      • set_paragraph_justification
      • set_paragraph_width
      • set_quiet
      • set_standard
      • set_verbose
      • show_clock
      • time_s
      • verbatim
    • RandomNumberEngine
      • dump
      • load
      • seed
      • seed_seq
    • RandomNumberGenerator
      • engine
      • random_int
      • random_real
    • ValueMap
      • from_dict
      • is_mismatched
      • make_incremented_values
      • to_dict
      • boolean_values
      • matrix_values
      • scalar_values
      • vector_values
    • libcasm.monte.events
      • choose_canonical_swap
      • choose_semigrand_canonical_multiswap
      • choose_semigrand_canonical_swap
      • is_allowed_canonical_swap
      • make_canonical_swaps
      • make_multiswaps
      • make_semigrand_canonical_swaps
      • propose_canonical_event
      • propose_canonical_event_from_swap
      • propose_semigrand_canonical_event
      • propose_semigrand_canonical_event_from_multiswap
      • propose_semigrand_canonical_event_from_swap
      • propose_semigrand_canonical_multiswap_event
      • swaps_allowed_per_unitcell
      • Atom
        • n_jumps
        • translation
      • AtomLocation
        • linear_site_index
        • mol_comp
        • mol_id
      • AtomTraj
        • delta_ijk
        • from
        • to
      • AtomTrajVector
        • append
        • clear
        • extend
        • insert
        • pop
      • AtomVector
        • append
        • clear
        • extend
        • insert
        • pop
      • Conversions
        • asym_size
        • asym_to_b
        • asym_to_unitl
        • bijk_to_asym
        • bijk_to_l
        • bijk_to_unitl
        • l_size
        • l_to_asym
        • l_to_b
        • l_to_basis_cart
        • l_to_basis_frac
        • l_to_bijk
        • l_to_cart
        • l_to_frac
        • l_to_ijk
        • l_to_unitl
        • lat_column_mat
        • make_with_custom_asym
        • make_with_custom_unitcell
        • occ_size
        • occ_to_species_index
        • site_index_converter
        • species_allowed
        • species_index_to_atoms_size
        • species_index_to_name
        • species_index_to_occupant
        • species_name_to_index
        • species_size
        • species_to_occ_index
        • transformation_matrix_to_super
        • unit_site_index_converter
        • unit_transformation_matrix_to_super
        • unitcell_index_converter
        • unitl_size
        • unitl_to_asym
        • unitl_to_b
        • unitl_to_bijk
      • IntVector
        • append
        • clear
        • count
        • extend
        • insert
        • pop
        • remove
      • LongVector
        • append
        • clear
        • count
        • extend
        • insert
        • pop
        • remove
      • Mol
        • asymmetric_unit_index
        • component_id
        • id
        • linear_site_index
        • mol_location_index
      • MolVector
        • append
        • clear
        • extend
        • insert
        • pop
      • MultiOccSwap
        • from_dict
        • reverse
        • sort
        • sorted
        • to_dict
        • swaps
        • total_count
      • OccCandidate
        • from_dict
        • is_valid
        • to_dict
        • asymmetric_unit_index
        • species_index
      • OccCandidateList
        • from_dict
        • index
        • matching_index
        • to_dict
      • OccEvent
        • atom_traj
        • linear_site_index
        • new_occ
        • occ_transform
      • OccLocation
        • apply
        • atom
        • atom_positions_cart
        • atom_positions_cart_within
        • atom_size
        • cand_size
        • cand_size_by_candidate_index
        • candidate_list
        • choose_mol
        • choose_mol_by_candidate_index
        • convert
        • current_atom_n_jumps
        • current_atom_names
        • current_atom_position_index
        • current_atom_species_index
        • initial_atom_position_index
        • initial_atom_species_index
        • initialize
        • linear_site_index_to_mol_id
        • mol
        • mol_id
        • mol_id_by_candidate_index
        • mol_size
      • OccSwap
        • from_dict
        • is_valid
        • reverse
        • sort
        • sorted
        • to_dict
        • first
        • second
      • OccSwapCountMap
        • items
        • keys
        • values
      • OccTransform
        • asym
        • from_species
        • linear_site_index
        • mol_id
        • to_species
      • OccTransformVector
        • append
        • clear
        • extend
        • insert
        • pop
    • libcasm.monte.ising_cpp
      • IsingConfiguration
        • from_dict
        • from_linear_site_index
        • occ
        • occupation
        • set_occ
        • set_occupation
        • to_dict
        • to_linear_site_index
        • within
        • n_sites
        • n_unitcells
        • n_variable_sites
        • shape
      • IsingFormationEnergy
        • occ_delta_per_supercell
        • per_supercell
        • per_unitcell
        • set_state
      • IsingParamComposition
        • n_independent_compositions
        • occ_delta_per_supercell
        • per_supercell
        • per_unitcell
        • set_state
      • IsingState
        • from_dict
        • to_dict
        • conditions
        • configuration
        • properties
      • IsingSystem
        • formation_energy_calculator
        • param_composition_calculator
      • libcasm.monte.ising_cpp.semigrand_canonical
        • default_write_status
        • SemiGrandCanonicalCalculator
        • SemiGrandCanonicalConditions
        • SemiGrandCanonicalData
        • SemiGrandCanonicalEventGenerator
        • SemiGrandCanonicalPotential
    • libcasm.monte.ising_py
      • IsingConfiguration
        • from_dict
        • from_linear_site_index
        • occ
        • occupation
        • set_occ
        • set_occupation
        • to_dict
        • to_linear_site_index
        • within
        • shape
        • n_sites
        • n_variable_sites
        • n_unitcells
      • IsingFormationEnergy
        • occ_delta_per_supercell
        • per_supercell
        • per_unitcell
        • set_state
        • J
        • lattice_type
        • state
      • IsingParamComposition
        • n_independent_compositions
        • occ_delta_per_supercell
        • per_supercell
        • per_unitcell
        • set_state
      • IsingState
      • IsingSystem
      • libcasm.monte.ising_py.semigrand_canonical
        • default_write_status
        • make_formation_energy_f
        • make_param_composition_f
        • make_potential_energy_f
        • SemiGrandCanonicalCalculator
        • SemiGrandCanonicalConditions
        • SemiGrandCanonicalData
        • SemiGrandCanonicalEventGenerator
        • SemiGrandCanonicalPotential
    • libcasm.monte.methods
      • basic_occupation_metropolis
      • metropolis_acceptance
      • BasicOccupationMetropolisData
        • acceptance_rate
        • rejection_rate
        • to_dict
        • completion_check
        • json_samplers
        • json_sampling_functions
        • n_accept
        • n_pass
        • n_reject
        • n_steps_per_pass
        • sample_weight
        • samplers
        • sampling_functions
    • libcasm.monte.sampling
      • all_minimums_met
      • any_maximum_met
      • colmajor_component_names
      • component_convergence_check
      • converge
      • convergence_check
      • default_component_names
      • default_equilibration_check
      • get_n_samples
      • matrix_as_vector
      • scalar_as_vector
      • BasicStatistics
        • relative_precision
        • to_dict
        • calculated_precision
        • mean
      • BasicStatisticsCalculator
        • calculate
        • from_dict
        • to_dict
        • confidence
        • n_resamples
        • weighted_observations_method
      • CompletionCheck
        • check
        • count_and_time_check
        • count_check
        • params
        • reset
        • results
        • time_check
      • CompletionCheckParams
        • from_dict
        • calc_statistics_f
        • check_base
        • check_begin
        • check_period
        • check_period_max
        • check_shift
        • cutoff_params
        • equilibration_check_f
        • log_spacing
        • requested_precision
      • CompletionCheckResults
        • full_reset
        • partial_reset
        • to_dict
        • clocktime
        • convergence_check_results
        • count
        • equilibration_check_results
        • has_all_minimums_met
        • has_any_maximum_met
        • is_complete
        • n_samples
        • n_samples_at_convergence_check
        • params
        • time
      • ConvergenceCheckResults
        • to_dict
        • N_samples_for_statistics
        • all_converged
        • individual_results
      • ConvergenceResultMap
        • items
        • keys
        • values
      • CutoffCheckParams
        • from_dict
        • to_dict
        • max_clocktime
        • max_count
        • max_sample
        • max_time
        • min_clocktime
        • min_count
        • min_sample
        • min_time
      • EquilibrationCheckResults
        • to_dict
        • N_samples_for_all_to_equilibrate
        • all_equilibrated
        • individual_results
      • EquilibrationResultMap
        • items
        • keys
        • values
      • IndividualConvergenceResult
        • to_dict
        • is_converged
        • requested_precision
        • stats
      • IndividualEquilibrationResult
        • to_dict
        • N_samples_for_equilibration
        • is_equilibrated
      • RequestedPrecision
        • from_dict
        • to_dict
        • abs_convergence_is_required
        • abs_precision
        • rel_convergence_is_required
        • rel_precision
      • RequestedPrecisionConstructor
        • set_precision
      • RequestedPrecisionMap
        • items
        • keys
        • values
      • SAMPLE_METHOD
        • CUSTOM
        • LINEAR
        • LOG
        • name
        • value
      • SAMPLE_MODE
        • BY_PASS
        • BY_STEP
        • BY_TIME
        • name
        • value
      • Sampler
        • append
        • clear
        • component
        • component_names
        • n_components
        • n_samples
        • sample
        • sample_capacity
        • set_capacity_increment
        • set_sample_capacity
        • set_values
        • shape
        • values
      • SamplerComponent
        • component_index
        • component_name
        • sampler_name
      • SamplerMap
        • items
        • keys
        • values
      • SamplingParams
        • base
        • begin
        • do_sample_time
        • do_sample_trajectory
        • period
        • sample_method
        • sample_mode
        • sampler_names
        • shift
        • stochastic_sample_period
      • StateSamplingFunction
        • component_names
        • description
        • function
        • name
        • shape
      • StateSamplingFunctionMap
        • items
        • keys
        • values
      • jsonStateSamplingFunction
        • description
        • function
        • name
      • jsonStateSamplingFunctionMap
        • items
        • keys
        • values
  • Reference (libcasm)
  • SemiGrandCanonicalPotential
  • conditions

conditions#

SemiGrandCanonicalPotential.conditions: SemiGrandCanonicalConditions | None#

The current state’s conditions, set during run.

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