Labels

• ase

  ase

  Atomic Simulation Environment

• breaking

  breaking

  Breaking changes

• bug

  bug

  Something isn't working

• ci

  ci

  Continuous integration

• cp2k

  cp2k

  CP2K quantum chemistry package

• dependencies

  dependencies

  Pull requests that update a dependency file

• discussion

  discussion

  API design discussions

• docs

  docs

  Improvements or additions to documentation

• dx

  dx

  Developer experience

• dynamic

  dynamic

  Bugs, issues & PRs concerning dynamic workflows

• ecosystem

  ecosystem

  Issues concerning the larger MP ecosystem

• enhancement

  enhancement

  Improvements to existing features

• eos

  eos

  Equation of state

• error handling

  error handling

• feature

  feature

  A new feature being added

• fix

  fix

  Bug fix PR

• forcefields

  forcefields

  Forcefield related

• good first issue

  good first issue

  Good for newcomers

• help wanted

  help wanted

  Extra attention is needed

• house-keeping

  house-keeping

  Formatting and code quality tweaks

• invalid

  invalid

  This doesn't seem right

• linting

  linting

  Linting

• lobster

  lobster

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

• magnetism

  magnetism

  Magnetism related

• md

  md

  Molecular dynamics

• molecules

  molecules

  Molecule stuff

• mp

  mp

  MP jobs/workflows

• new wf

  new wf

  PRs with new workflows

• paper

  paper

  atomate2 publication

• phonon

  phonon

  Phonon workflow related