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I changed the molkit.ipynb to a simple tutorial of the new functionalities.

@giovanni-br giovanni-br requested a review from RichRick1 August 12, 2025 22:24
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Looks great to me! There are few things that need to be fixed:

  • Remove the unnecessary import
  • Fix the pycodestyle from the CI check (see tests)

)
from .utils.tools import (
load_fcidump,
to_geminal
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we don't need this import

@RichRick1 RichRick1 merged commit 2bb7eee into theochem:main Aug 20, 2025
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2 participants