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pdf-dft-extractor

What can you do with this Skill?

Extract DFT calculation coordinates from PDF files and generate Gaussian .gjf files. 从PDF文件中提取DFT计算坐标并生成Gaussian gjf输入文件。 Supports batch processing with separate output folders for each PDF. 支持批量处理,每个PDF单独生成输出文件夹。