Fix selective_dyn
handling issue in python>=3.12
#4097
Merged
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Hi,
I noticed I was getting some deprecation warnings like these, when parsing
vasprun.xml
files withpython=3.12
:I traced this down to this line (https://github.com/materialsproject/pymatgen/blob/master/src/pymatgen/io/vasp/outputs.py#L1465).
With this small update, it fixes
selective_dyn
handling (as mentioned in the warning, this would always be set toTrue
with future versions) and avoids these deprecation warnings.