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Add AshGC to Molecule.assign_partial_charges docstring#2185

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nagl-charges-molecule-api
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Add AshGC to Molecule.assign_partial_charges docstring#2185
mattwthompson wants to merge 2 commits into
mainfrom
nagl-charges-molecule-api

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@mattwthompson

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Closes #2176

  • Tag issue being addressed
  • Add tests
  • Update docstrings/documentation, if applicable
    • Add AshGC as a supported charge method in docstring
    • Link to NAGLToolkitWrapper
    • Link to <NAGLCharges> definition
    • Add example
  • Lint codebase
  • Update changelog

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codecov Bot commented Jun 15, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 94.17%. Comparing base (ec7cf88) to head (764168d).

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  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@mattwthompson mattwthompson marked this pull request as ready for review June 16, 2026 14:32
@mattwthompson mattwthompson requested a review from j-wags as a code owner June 16, 2026 14:32
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Include AshGC in assign_partial_charges docs

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