v0.3.2
VibrationalAnalysis v0.3.2
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:
- Improve CI and Julia compatibility (#23) (@galjos)
- Type infrared intensity results (#24) (@galjos)
- Polish usage documentation (#25) (@galjos)
- Fix vibrational edge cases (#26) (@galjos)
- Fix documentation deployment auth (#27) (@galjos)
- Refresh TagBot workflow (#28) (@galjos)
- Bump version to 0.3.2 (#29) (@galjos)