fix(qe): honor angstrom cells without cel files

[njzjz-bot]

Fixes #296.

Respect an explicit CELL_PARAMETERS { angstrom } unit in QE cp/traj files when no .cel sidecar is present.

Tests: cd tests && python -m unittest test_qe_cp_traj test_qe_cp_traj_skipload

Why existing tests missed it: Existing tests covered Bohr/default input and sidecar cells, but not an Angstrom card without .cel.

Coding agent: Codex
Codex version: codex-cli 0.144.4
Model: gpt-5.6-sol
Reasoning effort: xhigh

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Review details

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📥 Commits

Reviewing files that changed from the base of the PR and between 0416b54 and efd318c.

📒 Files selected for processing (7)

• dpdata/formats/qe/traj.py
• tests/qe.traj/angstrom_no_cel/cp.in
• tests/qe.traj/angstrom_no_cel/cp.pos
• tests/qe.traj/bohr_no_cel/cp.in
• tests/qe.traj/bohr_no_cel/cp.pos
• tests/qe.traj/missing_cell_no_cel/cp.in
• tests/test_qe_cp_traj.py

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[codspeed-hq]

Merging this PR will not alter performance

⚠️ Unknown Walltime execution environment detected

Using the Walltime instrument on standard Hosted Runners will lead to inconsistent data.

For the most accurate results, we recommend using CodSpeed Macro Runners: bare-metal machines fine-tuned for performance measurement consistency.

✅ 2 untouched benchmarks

---

_{Comparing njzjz-bot:fix/issue-296 (efd318c) with master (d2105f6)}

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 87.01%. Comparing base (0416b54) to head (efd318c).
⚠️ Report is 12 commits behind head on master.

Additional details and impacted files

@@            Coverage Diff             @@
##           master    #1029      +/-   ##
==========================================
+ Coverage   86.87%   87.01%   +0.14%     
==========================================
  Files          89       90       +1     
  Lines        8266     9182     +916     
==========================================
+ Hits         7181     7990     +809     
- Misses       1085     1192     +107     

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[wanghan-iapcm]

The #296 angstrom fix is correct and the new test genuinely fails on pre-fix code (10.44 vs 19.73). Requesting test coverage for the rewrite's other new branches, which codecov/patch flags red -- see inline.