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v0.3.2

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@github-actions github-actions released this 09 Jun 07:21
62d5c06

VibrationalAnalysis v0.3.2

Diff since v0.3.1

Changes

  • Fix vibrational edge cases for linear and near-linear molecules, including CO2.
  • Preserve signed wavenumbers for negative Hessian modes and add explicit Hessian sign handling.
  • Type infrared-intensity outputs and keep the previous writer name as a compatibility alias.
  • Improve CI compatibility and usage documentation.
  • Repair documentation publishing and release automation.

Merged pull requests: