Fix per stage ABFE BAR_Error by using correct loop var - #456

CI failure is

Run ruff format --check .
Would reformat: src/alchemlyb/parsing/lammps.py

Think that's outside the scope of this PR. Happy to format if you'd like though.

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 99.01%. Comparing base (220141f) to head (d6d451c).

@@           Coverage Diff           @@
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  Coverage   99.01%   99.01%           
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  Files          29       29           
  Lines        2446     2446           
  Branches      464      464           
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  Hits         2422     2422           
  Misses          2        2           
  Partials       22       22           

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Test failure also seems unrelated:

FAILED src/alchemlyb/tests/parsing/test_lammps.py::test_u_nk - assert (78682, 16) == (78681, 16)

I raised #458 for the failures that seem unrelated to your changes.

For the ruff formatting a separate PR with only formatting changes would be preferred.

I'll merge the PR given that @xiki-tempula approved it.

Thanks @xiki-tempula and @orbeckst ! Have made the requested changes. Should I add myself to CITATION.cff as well? (AUTHORS recommends it, but want to double check with you folks)

Yes, please, add yourself after

Good point!

Ah nice, thanks for the fix. Have updated citation.cff

Thank you @jberg5 , much appreciated!!