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Issues list

Bond Valence equation error analysis Concerning pymatgen.analysis bug needs discussion Needs discussion to agree on actionable next steps
#3480 opened Nov 19, 2023 by trioxane
Thickness of generated slab is smaller than min_slab_size bug core Pymatgen core surfaces Surface analysis
#3411 opened Oct 17, 2023 by hezhengda
The multiprocessing pool does not work expectively when importing some modules from pymatgen bug needs investigation Needs further research to pinpoint cause of issue performance Some functionality is too slow or regressed pkg Package health and distribution related stuff
#3402 opened Oct 11, 2023 by TsumiNa
Bug with structure read from cif file bug io Input/output functionality
#3373 opened Oct 4, 2023 by epatyukova
[Bug]: converged_ionic does not account for stopped calculation bug io Input/output functionality needs discussion Needs discussion to agree on actionable next steps vasp Vienna Ab initio Simulation Package
#3341 opened Sep 19, 2023 by R1j1t
2 of 4 tasks
Changing MP Input Sets discussion vasp Vienna Ab initio Simulation Package
#3322 opened Sep 13, 2023 by matthewkuner
Support Molecule.from_str(SMILES) without openbabel enhancement A new feature or improvement to an existing one io Input/output functionality molecules Molecule stuff
#3163 opened Jul 18, 2023 by janosh
Issue with Structure.from_spacegroup help Q&A support-style issues symmetry Space groups and the like
#3115 opened Jun 29, 2023 by emilannevelink
Bug in processing entries of GGA/GGA+U/R2SCAN scheme analysis Concerning pymatgen.analysis mixing-schemes About mixing energies from different DFT functionals needs repro Bug report that needs a reproduction
#3113 opened Jun 28, 2023 by peikai
BandStructureSymmLine from MP cannot be serialized api Application programming interface provenance Data provenance
#3096 opened Jun 23, 2023 by JaGeo
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