Supplementary Information

The supplementary information contains two examples that demonstrate functionality not available previously, namely parsing BSSE energies and parsing atomic charges computed by calling one program from inside another. Both examples include input and output files and Python scripts for cclib 2.0, and a README file provides a detailed overview.

补充信息包含两个示例，旨在展示先前未曾提供的功能，即解析BSSE能量和通过从另一个程序内部调用解析原子电荷。这两个示例均包括输入和输出文件，以及cclib 2.0版本的Python脚本，同时一份README文件提供了详细的概述。