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Unexpected behavior in CrystalNN: very low coordination numbers when adsorbates are present
#2618
opened Aug 11, 2022 by
arosen93
Faster structure matching via
StructureMatcher
(and by extension, group_structures
)
#2593
opened Jul 29, 2022 by
sgbaird
Qhull algorithm used to create the VoronoiNN class does not take care of the periodic boundary conditions.
#2546
opened Jun 8, 2022 by
Anny-tech
'diff' parameter not working in StructureGraph.draw_graph_to_file
#2542
opened Jun 5, 2022 by
Anny-tech
Need to add
enthalpy is TOTEN
to pymatgen.io.vasp.outputs
module?
#2534
opened May 28, 2022 by
chunweizhu
Magic Number of "max_sites=-20" in MP2020Compatibility Leads to Hidden Error
#2529
opened May 24, 2022 by
JiQi535
Improve useability of the
MaterialsProject2020Compatibility
Scheme
#2500
opened Apr 20, 2022 by
arosen93
PDplotter plotly backend ternary diagram default colors are terrible
#2465
opened Mar 19, 2022 by
Youjin1985
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