TST: Improve test coverage

[BvB93]

No description provided.

[codecov]

Codecov Report

Merging #294 (a7498b7) into master (3493182) will increase coverage by 37.92%.
The diff coverage is 100.00%.

@@             Coverage Diff             @@
##           master     #294       +/-   ##
===========================================
+ Coverage   44.66%   82.58%   +37.92%     
===========================================
  Files          59       59               
  Lines        2492     2492               
  Branches      417      417               
===========================================
+ Hits         1113     2058      +945     
+ Misses       1291      334      -957     
- Partials       88      100       +12     

Impacted Files	Coverage Δ
src/qmflows/_version_info.py	100.00% <100.00%> (+100.00%)	⬆️
...rained_and_TS_optimizations/generic_constraints.py	16.12% <0.00%> (+16.12%)	⬆️
...amples/Constrained_and_TS_optimizations/H2O2_TS.py	19.04% <0.00%> (+19.04%)	⬆️
src/qmflows/parsers/cp2k.py	72.60% <0.00%> (+24.42%)	⬆️
...flows/examples/Conditional_workflows/calc_freqs.py	25.00% <0.00%> (+25.00%)	⬆️
src/qmflows/cp2k_utils.py	90.37% <0.00%> (+27.80%)	⬆️
src/qmflows/packages/_orca.py	79.54% <0.00%> (+28.78%)	⬆️
src/qmflows/parsers/_generic.py	75.00% <0.00%> (+30.55%)	⬆️
src/qmflows/parsers/orca.py	97.01% <0.00%> (+31.34%)	⬆️
src/qmflows/parsers/_cp2k_basis_parser.py	98.00% <0.00%> (+34.00%)	⬆️
... and 34 more

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