Fix code scanning issues

[marvinfriede]

No description provided.

[github-advanced-security]

CodeQL found more than 20 potential problems in the proposed changes. Check the Files changed tab for more details.

[codecov]

Codecov Report

Attention: Patch coverage is 84.38819% with 37 lines in your changes missing coverage. Please review.

Project coverage is 82.14%. Comparing base (e999f14) to head (449d15c).
Report is 2 commits behind head on main.

Files with missing lines	Patch %	Lines
src/dxtb/_src/calculators/types/abc.py	41.66%	7 Missing ⚠️
...xtb/_src/components/interactions/solvation/alpb.py	42.85%	2 Missing and 2 partials ⚠️
src/dxtb/_src/scf/pure/iterations.py	50.00%	3 Missing ⚠️
src/dxtb/_src/calculators/config/main.py	33.33%	1 Missing and 1 partial ⚠️
src/dxtb/_src/components/classicals/halogen/hal.py	71.42%	1 Missing and 1 partial ⚠️
.../dxtb/_src/components/classicals/repulsion/base.py	60.00%	1 Missing and 1 partial ⚠️
.../dxtb/_src/components/interactions/field/efield.py	75.00%	1 Missing and 1 partial ⚠️
src/dxtb/_src/integral/base.py	84.61%	2 Missing ⚠️
src/dxtb/_src/integral/driver/pytorch/overlap.py	71.42%	1 Missing and 1 partial ⚠️
...tb/_src/calculators/properties/vibration/result.py	75.00%	1 Missing ⚠️
... and 10 more

Additional details and impacted files

@@            Coverage Diff             @@
##             main     #165      +/-   ##
==========================================
- Coverage   82.22%   82.14%   -0.09%     
==========================================
  Files         194      194              
  Lines        9589     9628      +39     
  Branches     1436     1460      +24     
==========================================
+ Hits         7885     7909      +24     
- Misses       1352     1358       +6     
- Partials      352      361       +9     

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