fix(pwmat): use selected frame cell for coordinates

[njzjz-bot]

Fixes #997.

Fractionalize each PWmat atom.config frame using that frame's lattice.

Tests: cd tests && python -m unittest test_pwmat_config_dump.TestAtomconfigFrameCell

Why existing tests missed it: The writer tests covered only one frame, where frame zero and the selected frame are identical.

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

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📥 Commits

Reviewing files that changed from the base of the PR and between 0416b54 and 93d3a9e.

📒 Files selected for processing (2)

• dpdata/formats/pwmat/atomconfig.py
• tests/test_pwmat_config_dump.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

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_{Comparing njzjz-bot:fix/issue-997 (93d3a9e) with master (0416b54)}

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 86.87%. Comparing base (0416b54) to head (93d3a9e).
⚠️ Report is 1 commits behind head on master.

Additional details and impacted files

@@           Coverage Diff           @@
##           master    #1021   +/-   ##
=======================================
  Coverage   86.87%   86.87%           
=======================================
  Files          89       89           
  Lines        8266     8266           
=======================================
  Hits         7181     7181           
  Misses       1085     1085           

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