Labels

• ase

  ase

  Related to the atomic simulation environment integration

• bug

  bug

  Something isn't working

• build

  build

  Build system related issues (platform, compilers)

• dependencies

  dependencies

  Pull requests that update a dependency file

• documentation

  documentation

  Improvements or additions to documentation

• duplicate

  duplicate

  This issue or pull request already exists

• enhancement

  enhancement

  New feature or request

• good first issue

  good first issue

  Good for newcomers

• help wanted

  help wanted

  Extra attention is needed

• invalid

  invalid

  This issue or pull request is not correct

• qca

  qca

  Related to the QCArchive infrastructure

• question

  question

  Further information is requested

• unconfirmed

  unconfirmed

  This report has not yet been confirmed by the developers

• unlikely

  unlikely

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

• xtb

  xtb

  Related to the upstream xtb dependency