增加balloon二进制程序，与mopac的量子化学构象优化测试ipynb文件

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mm644706215

2025-03-15 14:19:07 +08:00

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commit 7d0dfb6fb4

3 changed files with 19518 additions and 0 deletions

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pycomsia/src/mopac.ipynb Normal file

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