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add chgmult to Molecule repr #340

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add chgmult to Molecule repr #340

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@loriab loriab commented Jun 19, 2024

Description

closes #330

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Status

  • Code base linted
  • Ready to go

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codecov bot commented Jun 19, 2024

Codecov Report

Attention: Patch coverage is 92.30769% with 1 line in your changes missing coverage. Please review.

Project coverage is 89.72%. Comparing base (8e5a8cf) to head (101415d).

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This was referenced Jun 19, 2024
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Successfully merging this pull request may close these issues.

Molecule representation should include charge and multiplicity
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@loriab