Labels

• api

  api

  Application programming interface

• ase

  ase

  Atomic simulation environment

• breaking

  breaking

  Breaking change

• bug

  bug

  Something isn't working

• ci

  ci

  Continuous integration

• compatibility

  compatibility

  Compatibility with different OS, Python, PyTorch, numpy, etc.

• data

  data

  Data or data API related stuff

• docs

  docs

  Improvements or additions to documentation

• duplicate

  duplicate

  This issue or pull request already exists

• enhancement

  enhancement

  New feature or request

• feature request

  feature request

  Feature request

• fix

  fix

  Bug fix PRs

• good first issue

  good first issue

  Good for newcomers

• hardware

  hardware

  Running on accelerated hardware

• help

  help

  Q&A type issues

• help wanted

  help wanted

  Extra attention is needed

• invalid

  invalid

  This doesn't seem right

• linting

  linting

  Cleaning up and refactoring code

• magmom

  magmom

  Magnetism related

• md

  md

  Molecular dynamics

• needs repro

  needs repro

  Needs reproduction

• needs testing

  needs testing

  Needs test coverage

• out of scope

  out of scope

  Feature request outside (currently) intended functionality

• outdated

  outdated

  Issues caused by outdated versions/dependencies

• performance

  performance

  Performance issues or improvements

• pkg

  pkg

  Package

• question

  question

  Further information is requested

• relax

  relax

  Structure optimization

• testing

  testing

  Test all the things

• training

  training

  Questions and issues about training the model