Package reference

• boundary_conditions
  • BoundaryConditions
    • BoundaryConditions.J_fun()
    • BoundaryConditions.__init__()
    • BoundaryConditions.make_BC_type()
    • BoundaryConditions.make_BC_dict()
    • BoundaryConditions.make_J_fun()
    • BoundaryConditions.make_cvar_fun()
    • BoundaryConditions.check_BC_components()
    • BoundaryConditions.clip_xBC_values()
    • BoundaryConditions.x_fun()
• composition_variables
  • vec_to_nod()
  • arr_to_nod()
  • MultiVariable
    • MultiVariable.__init__()
    • MultiVariable.nod()
  • UniVariable
    • UniVariable.__init__()
    • UniVariable.nod()
  • CompositionVariables
    • CompositionVariables.__init__()
    • CompositionVariables.x
    • CompositionVariables.y
    • CompositionVariables.V
    • CompositionVariables.Vm
    • CompositionVariables.fm
    • CompositionVariables.fp
• constants
  • R
  • EV
  • NA
  • KB
  • GV0
  • factory_default_parameters
• data_io
  • get_user_data()
  • get_partial_molar_volume()
  • get_vacancy_formation_energy()
  • get_database()
  • get_thermo_from_file()
  • get_thermo_from_csv()
  • get_thermo_from_spreadsheet()
  • process_elements_parameters()
  • process_interaction_parameters()
  • unit_process_interactions()
  • make_L_isotherm()
  • get_mob_from_file()
  • get_mob_from_spreadsheet()
  • get_mob_from_json()
  • get_reduced_df()
  • get_csv_as_string()
  • sanitize_dataframe()
• initial_conditions
  • InitialConditions
    • InitialConditions.__init__()
    • InitialConditions.make_x_profile()
    • InitialConditions.check_x_profile_from_file()
    • InitialConditions.prepare_x_params()
    • InitialConditions.make_yVa_profile()
    • InitialConditions.make_fm_profile()
    • InitialConditions.make_profile()
    • InitialConditions.make_profile_from_file()
    • InitialConditions.make_profile_from_dict()
    • InitialConditions.make_step_profile()
    • InitialConditions.make_flat_profile()
  • make_step_profile()
  • make_smooth_step_profile()
• lattice
  • Lattice
    • Lattice.__init__()
    • Lattice.is_ideal()
    • Lattice.process_sink_terms()
  • compute_alpha_nonideal()
  • compute_gamma()
  • compute_gamma_V()
  • compute_velocity()
• log_utils
  • CustomLogger
    • CustomLogger.__init__()
    • CustomLogger.add_stream_handler()
    • CustomLogger.add_file_handler()
    • CustomLogger.data()
    • CustomLogger.input()
    • CustomLogger.results()
    • CustomLogger.info()
    • CustomLogger.warning()
    • CustomLogger.log_wrapper()
  • parse_log()
  • get_and_log()
• mobility
  • Mobility
    • Mobility.DVa_fun()
    • Mobility.__init__()
    • Mobility.DT_fun()
  • get_DT_funx()
• paths
  • get_data_dir()
  • is_in_tests_dir()
• plots
  • process_xaxis_unit()
  • process_yaxis_unit()
  • plot_profile_single()
  • add_profile()
  • plot_profile_quartet()
  • StaticProfile
    • StaticProfile.single()
    • StaticProfile.quartet()
  • calculate_view_limits()
  • InteractivePlot
    • InteractivePlot.setup_plot()
    • InteractivePlot.on_scroll()
    • InteractivePlot.update_slider()
    • InteractivePlot.update()
  • InteractivePlotQuartet
    • InteractivePlotQuartet.setup_plot()
    • InteractivePlotQuartet.on_scroll()
    • InteractivePlotQuartet.update_slider()
    • InteractivePlotQuartet.update()
  • plot_mass_balance()
• results
  • SimulationResults
    • SimulationResults.__init__()
    • SimulationResults.add_results()
    • SimulationResults.result()
    • SimulationResults.plot()
    • SimulationResults.plot_quartet()
    • SimulationResults.interactive_plot()
    • SimulationResults.add_mass_balance()
    • SimulationResults.plot_mass_balance()
  • UnitResult
    • UnitResult.__init__()
    • UnitResult.to_nod()
    • UnitResult.make_nod_attributes()
    • UnitResult.make_shorthands()
    • UnitResult.compute_Vm()
    • UnitResult.compute_L_nod()
    • UnitResult.plot()
    • UnitResult.plot_quartet()
• simu
  • Simulation
    • Simulation.__init__()
    • Simulation.check_required_parameters()
    • Simulation.get_constituents()
    • Simulation.get_database_register()
    • Simulation.get_default_parameters()
    • Simulation.get_thermo_handler()
    • Simulation.get_mob_handler()
    • Simulation.get_database_from_register()
    • Simulation.get_boundary_conditions()
  • NewSimulation
    • NewSimulation.__init__()
    • NewSimulation.prepare_simulation_log()
    • NewSimulation.run()
  • ReadSimulation
    • ReadSimulation.__init__()
  • intro_msg()
  • get_timedate()
• solvers
  • solver()
  • solver_core()
  • compute_alpha_ideal()
  • compute_boundary_fluxes()
  • make_L_mean_fun()
  • remesh()
• space
  • SpaceGrid
    • SpaceGrid.__init__()
    • SpaceGrid.make_grid()
    • SpaceGrid.make_grid_from_dict()
  • geo_grid()
• temperature
  • Temperature
    • Temperature.__init__()
• thermo_functions
  • Gmag_fun()
  • G0_fun()
  • G_model()
  • partial_derivative()
  • MU_model()
  • LkV_fun()
  • yVa_model()
  • make_DVa_fun()
  • make_Lfun()
  • RK_pol()
  • lnDT_model()
  • unit_lnDT()
• thermodynamics
  • Thermodynamics
    • Thermodynamics.__init__()
    • Thermodynamics.process_parameters()
    • Thermodynamics.extend_G_funx()
    • Thermodynamics.extend_MU_funx()
    • Thermodynamics.set_nonideal_lattice()
    • Thermodynamics.MU_fun()
  • make_G_fun()
  • make_MU_fun()
  • make_yVa_fun()
• time_grid
  • TimeGrid
    • TimeGrid.__init__()
    • TimeGrid.make_time_steps()
    • TimeGrid.make_saved_steps()
• utils
  • kd()
  • format_element_symbol()
  • count_combinations()
  • make_combinations()
  • index_binary_combination()
  • index_ternary_combination()
  • make_permutations_samesize()
  • integrate()
  • div()
  • AtomFractionError
  • UserInputError
  • ResultsError