Labels

• analysis

  Concerning pymatgen.analysis
• api

  Application programming interface
• ase

  Atomic simulation environment
• awaiting user

  Needs more information from OP.
• best practice

  Discussion/changes of best practices
• breaking

  Breaking change
• bug
• charge

  Electric charge analysis, partitioning, integrations, etc.
• ci

  Continuous integration
• cif

  Crystallographic information file
• cli

  Command line interface
• compatability

  Concerning pymatgen compatibility with different OS, Python versions, numpy versions, etc.
• contributing

  Issues about how to contribute, report errors, submit features
• core

  Pymatgen core
• cp2k

  CP2K quantum chemistry package
• critical
• cython

  Performance critical Cython code
• data viz

  PRs and issues about pymatgen plotting functionality
• dependencies

  Dependency issues and PRs
• deprecation

  Code deprecations
• discussion
• docs

  Documentation, examples, user guides
• duplicate

  Duplicate issue
• dx

  Developer experience
• ecosystem

  Concerning the larger pymatgen ecosystem
• electronic structure

  Electronic structure functionality related
• enhancement

  A new feature or improvement to an existing one
• ext

  pymatgen ext package for API data fetching
• feature

  PRs with new features, not enhancements to existing features
• feature request

  Request for a new feature