5 Pull requests merged by 4 people

• Bump nokogiri from 1.16.5 to 1.18.3 in /docs

  #4294 merged Mar 3, 2025

• Pass kwargs to IStructure.to method in JSON format

  #4295 merged Mar 3, 2025

• IStructure.to default to JSON when filename not specified

  #4306 merged Mar 3, 2025

• pre-commit autoupdate

  #4311 merged Mar 3, 2025

• Bugfix: Structure/ase.Atoms interconversion side effects

  #4297 merged Feb 28, 2025

2 Issues closed by 2 people

• Default `fmt` of `IStructure.to` doesn't agree with docstring

  #4305 closed Mar 3, 2025

• structure.to_ase_atoms() modifies structure.properties in place

  #4289 closed Feb 28, 2025

6 Issues opened by 4 people

• More sources/references in periodic table

  #4313 opened Mar 4, 2025

• Selen having a way too low resistance

  #4312 opened Mar 4, 2025

• Fix `SpaceGroup.symbol` to return short HM symbol always (incl. monoclinic spacegroups)

  #4310 opened Mar 2, 2025

• `ImportError`: cannot import name `'SymmetryGroup'` from partially initialized module `'pymatgen.symmetry.groups'`

  #4309 opened Mar 1, 2025

• Monthly issue metrics report

  #4308 opened Mar 1, 2025

• ELFCAR data field names do not make sense

  #4307 opened Feb 28, 2025

8 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• Updated vasp input sets with MPSurfaceSet from atomate1

  #4287 commented on Mar 3, 2025 • 2 new comments

• [Breaking] Make dict representation of `SymmetrizedStructure` MSONable

  #4296 commented on Mar 3, 2025 • 1 new comment

• Wrong reassignment of translations for edges in __mul__ method of StructureGraph object

  #4293 commented on Mar 4, 2025 • 0 new comments

• Remove explicit declare of package-data

  #4018 commented on Feb 26, 2025 • 0 new comments

• Fix branch directory check in `io.vasp.outputs.get_band_structure_from_vasp_multiple_branches`

  #4061 commented on Feb 26, 2025 • 0 new comments

• Fix `monty` imports, enhance test for `Outcar` parser to cover uncompressed format

  #4068 commented on Feb 26, 2025 • 0 new comments

• Deprecate `PymatgenTest`, migrate tests to `pytest` from `unittest`

  #4212 commented on Feb 26, 2025 • 0 new comments

• Add method to get the Pearson symbol to SpaceGroupAnalyzer

  #4281 commented on Mar 1, 2025 • 0 new comments