Defect Grouping

[jmmshn]

Implemented General Grouping of Defects

General Grouping of Defects by structure matching of defect_structure
This ensures that structurally symmetric defects are considered the same regardless of how they were created.

• First group defects by their name.
• Then structure match them.

[codecov]

Codecov Report

Patch coverage: 96.55% and project coverage change: -0.11 ⚠️

Comparison is base (fec83bb) 91.90% compared to head (6cc1dbc) 91.79%.

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #117      +/-   ##
==========================================
- Coverage   91.90%   91.79%   -0.11%     
==========================================
  Files          11       10       -1     
  Lines        1803     1792      -11     
  Branches      318      325       +7     
==========================================
- Hits         1657     1645      -12     
  Misses         81       81              
- Partials       65       66       +1     

Impacted Files	Coverage Δ
pymatgen/analysis/defects/thermo.py	93.12% <91.66%> (-0.18%)	⬇️
pymatgen/analysis/defects/utils.py	92.12% <100.00%> (+0.36%)	⬆️

... and 1 file with indirect coverage changes

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