[sbryngelson]

What

In the 2D branch of s_write_probe_files the species partial densities
were read from q_cons_vf(j-2, k-2, l) before j, k and l were computed
for the current probe and outside the ownership check, so they used the
previous probe's cell or, for the first probe, uninitialized indices.
A gfortran debug run of a 2D chemistry case with probes aborted on an
out-of-bounds index.

Move the read inside the ownership branch after the indices are set,
as in the 1D and 3D branches.

Verification

Testing. Built with GPU offload (OpenMP, AMD) and ran the full test suite with this fix and seven other independent fixes applied together: 729 tests in 4 shards, 0 failures (two shards on MI300A, two on MI250X).

Prepared with Claude Code (AI-assisted); I reviewed the change and ran the tests.

[github-actions]

Claude Code Review

Head SHA: 096a3a4

Files changed:

• 1
• src/simulation/m_data_output.fpp

Findings:
No issues found. Checked in step 4: src/simulation/m_data_output.fpp. The 2D probe branch read rhoYks with stale j,k before they were set by minloc. The diff moves the read after j,k are assigned and inside the ownership check, which fixes this. This matches the 1D and 3D branches.

[codecov]

Codecov Report

❌ Patch coverage is 0% with 2 lines in your changes missing coverage. Please review.
✅ Project coverage is 61.90%. Comparing base (a03848a) to head (096a3a4).

Files with missing lines	Patch %	Lines
src/simulation/m_data_output.fpp	0.00%	2 Missing ⚠️

Additional details and impacted files

@@           Coverage Diff           @@
##           master    #2125   +/-   ##
=======================================
  Coverage   61.90%   61.90%           
=======================================
  Files          86       86           
  Lines       22948    22948           
  Branches     3386     3386           
=======================================
  Hits        14205    14205           
  Misses       6229     6229           
  Partials     2514     2514           

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