API Documentation¶
Subpackages¶
- minushalf.commands package
- Submodules
- minushalf.commands.band_character module
- minushalf.commands.band_gap module
- minushalf.commands.cbm_character module
- minushalf.commands.correct_potfile module
- minushalf.commands.create_input module
- minushalf.commands.execute module
- minushalf.commands.fractional_occupation module
- minushalf.commands.run_atomic_program module
- minushalf.commands.vbm_character module
- Module contents
- minushalf.corrections package
- minushalf.data package
- Submodules
- minushalf.data.calculation_code module
- minushalf.data.constants module
- minushalf.data.correction_code module
- minushalf.data.electronic_distribution module
- minushalf.data.exchange_correlation module
- minushalf.data.minushalf_yaml_default_configuration module
- minushalf.data.orbital module
- minushalf.data.periodic_table module
- minushalf.data.softwares module
- Module contents
- minushalf.interfaces package
- minushalf.softwares package
- minushalf.utils package
- Submodules
- minushalf.utils.atomic_potential module
- minushalf.utils.band_structure module
- minushalf.utils.check_file_exists module
- minushalf.utils.cli_messages module
- minushalf.utils.correct_potential_fourier_transform module
- minushalf.utils.cut_initial_guess module
- minushalf.utils.drop_comments module
- minushalf.utils.fractionary_correction_indexes module
- minushalf.utils.get_correction_params module
- minushalf.utils.negative_band_gap module
- minushalf.utils.parse_cut module
- minushalf.utils.parse_valence_orbital_line module
- minushalf.utils.projection_to_df module
- minushalf.utils.simple_correction_indexes module
- minushalf.utils.trimming_function module
- Module contents
- minushalf.io package
- Submodules
- minushalf.io.atomic_program module
- minushalf.io.correction module
- minushalf.io.input_file module
- minushalf.io.make_minushalf_results module
- minushalf.io.minushalf_yaml module
MinushalfYaml
MinushalfYaml.from_file()
MinushalfYaml.get_amplitude()
MinushalfYaml.get_atomic_program_params()
MinushalfYaml.get_calculation_code()
MinushalfYaml.get_cbm_characters()
MinushalfYaml.get_command()
MinushalfYaml.get_conduction_cut_initial_guess()
MinushalfYaml.get_correction_code()
MinushalfYaml.get_correction_params()
MinushalfYaml.get_divide_character()
MinushalfYaml.get_exchange_corr_code()
MinushalfYaml.get_indirect()
MinushalfYaml.get_max_iterations()
MinushalfYaml.get_overwrite_cbm()
MinushalfYaml.get_overwrite_vbm()
MinushalfYaml.get_potential_folder()
MinushalfYaml.get_software_configurations_params()
MinushalfYaml.get_software_name()
MinushalfYaml.get_tolerance()
MinushalfYaml.get_valence_cut_initial_guess()
MinushalfYaml.get_vbm_characters()
- minushalf.io.software_configurations module
- minushalf.io.vtotal module
- Module contents
Submodules¶
minushalf.minushalf module¶
Definition of the minushalf CLI
Module contents¶
Init file for minushalf