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fix
fix
Bug fix PRs
github actions
github actions
Pull requests that update GitHub Actions code
good first issue
good first issue
A new feature or bug fix suited for beginners to start contributing
hash
hash
Hashing related issues
help wanted
help wanted
Help wanted
help
help
Q&A support-style issues
housekeeping
housekeeping
Moving around or cleaning up old code/files
imports
imports
Import changes and formatting
install
install
Installation issues
invalid
invalid
User error/mistake
io
io
Input/output functionality
lammps
lammps
Pymatgen LAMMPS interface
license
license
Licensing and copyright stuff
linting
linting
Linting and quality assurance
linux
linux
Linux-specific issues
lobster
lobster
Lobster package (Local Orbital Basis Suite Towards Electronic-Structure Reconstruction)
magmoms
magmoms
Magnetism related
md
md
Molecular dynamics
memory
memory
Excessive memory use and leaks
mixing-schemes
mixing-schemes
About mixing energies from different DFT functionals
ml
ml
Machine learning
molecules
molecules
Molecule stuff
needs discussion
needs discussion
Needs discussion to agree on actionable next steps
needs file dedup
needs file dedup
Needs file compression/deduplication, usually for test files
needs investigation
needs investigation
Needs further research to pinpoint cause of issue
needs repro
needs repro
Bug report that needs a reproduction
needs testing
needs testing
PRs that are not ready to merge due to lacking tests
nn
nn
Nearest neighbor analysis
out of scope
out of scope
Not planned due to not aligning with pymatgen's goals
outdated
outdated
Issues resulting from using outdated versions of pymatgen or dependencies