generate_orca_input¶ Generate ORCA input files from TOML configuration via pychum. Added in version 1.1.0. Functions¶ main(toml_path, output) Render an Orca input file from a TOML configuration using pychum. Module Contents¶ generate_orca_input.main(toml_path, output)[source]¶ Render an Orca input file from a TOML configuration using pychum. TOML_PATH is the path to the TOML configuration file.
