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The tests for the electron density derivative functions were adapted such that the cases "direct" and general "general" are tested using the same tests. The module with the "direct" density derivative tests was removed as it is no longer needed (it was duplicated code).

Checklist

  • [ x] Write a good description of what the PR does.
  • [x ] Add tests for each unit of code added (e.g. function, class)
  • [ x] Update documentation
  • [ x] Squash commits that can be grouped together
  • [ x] Rebase onto master

Type of Changes

Type
🔨 Refactoring

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Now the same tests are ran by passing the deriv_type parameter
to the unified density tests.
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@PaulWAyers PaulWAyers left a comment

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LGTM

@marco-2023 marco-2023 merged commit 252e758 into theochem:master Oct 3, 2025
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2 participants