Labels

analysis
analysis
Concerning pymatgen.analysis
api
api
Application programming interface
ase
ase
Atomic simulation environment
awaiting user
awaiting user
Needs more information from OP.
best practice
best practice
Discussion/changes of best practices
breaking
breaking
Breaking change
bug
bug
charge
charge
Electric charge analysis, partitioning, integrations, etc.
ci
ci
Continuous integration
cif
cif
Crystallographic information file
cli
cli
Command line interface
compatability
compatability
Concerning pymatgen compatibility with different OS, Python versions, numpy versions, etc.
contributing
contributing
Issues about how to contribute, report errors, submit features
core
core
Pymatgen core
cp2k
cp2k
CP2K quantum chemistry package
critical
critical
cython
cython
Performance critical Cython code
data viz
data viz
PRs and issues about pymatgen plotting functionality
dependencies
dependencies
Dependency issues and PRs
deprecation
deprecation
Code deprecations
discussion
discussion
docs
docs
Documentation, examples, user guides
duplicate
duplicate
Duplicate issue
dx
dx
Developer experience
ecosystem
ecosystem
Concerning the larger pymatgen ecosystem
electronic structure
electronic structure
Electronic structure functionality related
enhancement
enhancement
A new feature or improvement to an existing one
ext
ext
pymatgen ext package for API data fetching
feature
feature
PRs with new features, not enhancements to existing features
feature request
feature request
Request for a new feature

86 labels