Supplementary Information
收藏DataCite Commons2024-07-25 更新2024-08-18 收录
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https://aip.figshare.com/articles/dataset/Supplementary_Information/26133223
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资源简介：
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.
提供机构：
AIP Publishing
创建时间：
2024-07-01
