Labels

• ase

  Related to the atomic simulation environment integration
• bug

  Something isn't working
• build

  Build system related issues (platform, compilers)
• dependencies

  Pull requests that update a dependency file
• documentation

  Improvements or additions to documentation
• duplicate

  This issue or pull request already exists
• enhancement

  New feature or request
• good first issue

  Good for newcomers
• help wanted

  Extra attention is needed
• invalid

  This issue or pull request is not correct
• qca

  Related to the QCArchive infrastructure
• question

  Further information is requested
• unconfirmed

  This report has not yet been confirmed by the developers
• unlikely

  This issue describes a low-probability event in a distant future
• xtb

  Related to the upstream xtb dependency