Labels

• ase

  Atomic Simulation Environment
• breaking

  Breaking changes
• bug

  Something isn't working
• ci

  Continuous integration
• cp2k

  CP2K quantum chemistry package
• dependencies

  Pull requests that update a dependency file
• discussion

  API design discussions
• docs

  Improvements or additions to documentation
• dx

  Developer experience
• dynamic

  Bugs, issues & PRs concerning dynamic workflows
• ecosystem

  Issues concerning the larger MP ecosystem
• enhancement

  Improvements to existing features
• eos

  Equation of state
• error handling
• feature

  A new feature being added
• fix

  Bug fix PR
• forcefields

  Forcefield related
• good first issue

  Good for newcomers
• help wanted

  Extra attention is needed
• house-keeping

  Formatting and code quality tweaks
• invalid

  This doesn't seem right
• linting

  Linting
• lobster

  Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)
• magnetism

  Magnetism related
• md

  Molecular dynamics
• molecules

  Molecule stuff
• mp

  MP jobs/workflows
• new wf

  PRs with new workflows
• paper

  atomate2 publication
• phonon

  Phonon workflow related