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New features - Improvements #171

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AndresOrtegaGuerrero opened this issue Jul 26, 2023 · 0 comments

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AndresOrtegaGuerrero commented Jul 26, 2023

The app should print the S and S**2 from an open shell calculations to the user
The app should get a Bader (does DDEC charge analysis works?) analysis

AndresOrtegaGuerrero changed the title ~~Improvements~~ New features - Improvements

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