API reference

• allfunc module
  • check_type()
  • Prepare_Config
    • Prepare_Config.__init__()
    • Prepare_Config.read()
    • Prepare_Config.save()
    • Prepare_Config.write()
  • storage_path_initialize()
  • output_symmetry()
  • convert_nanosheet_into_slab()
  • symmetry_equivalent_arrange()
  • visualize_symmetry_operation()
  • bulk2slab()
  • adjust_concentration_each_layer()
  • SurfaceAtomsManager
    • SurfaceAtomsManager.__init__()
    • SurfaceAtomsManager.index_by_basis()
    • SurfaceAtomsManager.basisindex_by_tag()
  • ClusterExpansionSettings_nowarning
    • ClusterExpansionSettings_nowarning.__init__()
    • ClusterExpansionSettings_nowarning.tag2grouped_basis()
    • ClusterExpansionSettings_nowarning.index_by_basis
    • ClusterExpansionSettings_nowarning.all_cf_names
    • ClusterExpansionSettings_nowarning.cluster_mng
    • ClusterExpansionSettings_nowarning.create_cluster_list_and_trans_matrix()
  • cluster2index()
  • cf_calculator_each_sublattice()
  • validate_calculatedCF()
  • ClusterManager_each_sublattice
    • ClusterManager_each_sublattice.__init__()
    • ClusterManager_each_sublattice.build()
    • ClusterManager_each_sublattice.cluster_list_for_template()
  • CESlab_nowarning()
  • Calculator
    • Calculator.__init__()
    • Calculator.optimization()
    • Calculator.single_point()
    • Calculator.csv_write()
    • Calculator.csv_read()
    • Calculator.csv_write_formationE()
  • CSV_Reader
    • CSV_Reader.implemented_properties
    • CSV_Reader.nolabel
    • CSV_Reader.default_parameters
    • CSV_Reader.__init__()
    • CSV_Reader.calculate()
    • CSV_Reader.get_potential_energy()
    • CSV_Reader.set_model_id()
  • NewStructures_each_sublattice
    • NewStructures_each_sublattice.__init__()
    • NewStructures_each_sublattice.generate_probe_structure()
  • ProbeStructure_each_sublattice
    • ProbeStructure_each_sublattice.__init__()
  • CorrFunction_each_sublattice
    • CorrFunction_each_sublattice.__init__()
    • CorrFunction_each_sublattice.get_cf_by_names()
  • check_position_overlap()
  • check_max_cluster_size()
  • Slab_Processor
    • Slab_Processor.__init__()
    • Slab_Processor.update_radiusdict()
    • Slab_Processor.selective_dynamics()
    • Slab_Processor.set_cif_list()
    • Slab_Processor.set_vaccum_thickness()
    • Slab_Processor.set_leyer_number()
    • Slab_Processor.set_model_type()
    • Slab_Processor.load()
    • Slab_Processor.save_cif()
    • Slab_Processor.save4visualize()
    • Slab_Processor.save_vasp()
    • Slab_Processor.process_iter()
    • Slab_Processor.sort()
    • Slab_Processor.remove_vacuum()
    • Slab_Processor.add_vacuum()
    • Slab_Processor.undo_z_wrap()
    • Slab_Processor.adsorption_Hydrogen()
    • Slab_Processor.adsorption_Oxygen()
    • Slab_Processor.adsorption_Carbon()
    • Slab_Processor.adsorption_CO()
    • Slab_Processor.adsorption_moledule()
    • Slab_Processor.search_surfaceatoms()
    • Slab_Processor.model_expansion()
    • Slab_Processor.get_surfaceatoms()
  • ClusterExpansionExcutor
    • ClusterExpansionExcutor.__init__()
    • ClusterExpansionExcutor.reload_config()
    • ClusterExpansionExcutor.model_addition_random()
    • ClusterExpansionExcutor.add_user_structure()
    • ClusterExpansionExcutor.add_further_model()
    • ClusterExpansionExcutor.add_user_structure_origin()
    • ClusterExpansionExcutor.unconverged_calculate()
    • ClusterExpansionExcutor.update_formation_energy()
    • ClusterExpansionExcutor.calculate()
    • ClusterExpansionExcutor.ECI_evaluate()
    • ClusterExpansionExcutor.ECI_evaluate_with_cf_optimization()
    • ClusterExpansionExcutor.additional_cf_optimization()
    • ClusterExpansionExcutor.get_ECI()
    • ClusterExpansionExcutor.get_basis_function()
    • ClusterExpansionExcutor.make_qubit()
    • ClusterExpansionExcutor.make_QUBO()
  • plot_fit()
  • plot_ECIs()
  • plot_QUBO()
  • Annealing_Machine_Converter
    • Annealing_Machine_Converter.__init__()
    • Annealing_Machine_Converter.set_default_penalty()
    • Annealing_Machine_Converter.bit2energy()
    • Annealing_Machine_Converter.endcode_to_annealing_machine()
    • Annealing_Machine_Converter.setting_constraints()
    • Annealing_Machine_Converter.run()
    • Annealing_Machine_Converter.decode_to_universal_style()
  • Fixstars_Amplify
    • Fixstars_Amplify.__init__()
    • Fixstars_Amplify.encode_to_annealing_machine()
    • Fixstars_Amplify.setting_constraints()
    • Fixstars_Amplify.run()
    • Fixstars_Amplify.decode_to_universal_style()
  • best_bits2model()
• visualize module
  • VisualizationManager
    • VisualizationManager.__init__()
    • VisualizationManager.get_available_plots()
    • VisualizationManager.get_composition_candidate()
    • VisualizationManager.calculate_composition()
    • VisualizationManager.view_model()
    • VisualizationManager.view_composition()
    • VisualizationManager.view_rdf()
    • VisualizationManager.calculate_rdf()
    • VisualizationManager.view_relativeposition()
    • VisualizationManager.view_energy()
• dashboard module
  • DashApp
    • DashApp.__init__()
    • DashApp.setup_layout()
    • DashApp.setup_callbacks()