History

0.0.2 (2020-12-27)

  • Bugfix release

  • Added VPT2 calculations

0.0.1 (2020-12-15)

  • First release on PyPI

  • IR Spectra

  • Energy surfaces (geometry / param)

  • Single point calculations

  • Multi-run input generators

  • Generic syntax helpers for block and keyword inputs

  • Zenodo DOI

  • Netlify Docs