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docs: explain LAMMPS exploration extra files - #393

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docs: explain LAMMPS exploration extra files#393
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Summary

  • document input_extra_files for generated lmp-md task groups
  • show the DP-ZBL use_srtab table-file configuration
  • verify the normalized stage configuration copies the file content into each exploration task by basename

Tests

  • PYTHONPATH=tests python -m unittest -v tests.exploration.test_make_task_group_from_config.TestMakeLmpTaskGroupFromConfig
  • ruff format --check tests/exploration/test_make_task_group_from_config.py
  • isort --check-only tests/exploration/test_make_task_group_from_config.py
  • git diff --check

Closes #304

Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh

@dosubot dosubot Bot added size:XS This PR changes 0-9 lines, ignoring generated files. documentation Improvements or additions to documentation exploration labels Aug 23, 2026
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  • docs/input.md
  • tests/exploration/test_make_task_group_from_config.py

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 84.45%. Comparing base (6b01f29) to head (23dee80).

Additional details and impacted files
@@            Coverage Diff             @@
##           master     #393      +/-   ##
==========================================
+ Coverage   84.43%   84.45%   +0.01%     
==========================================
  Files         104      104              
  Lines        6110     6110              
==========================================
+ Hits         5159     5160       +1     
+ Misses        951      950       -1     

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Document the input_extra_files path for DP-ZBL tables and verify that normalized lmp-md task groups copy each file into every task.

Coding-Agent: Codex
Codex-Version: codex-cli 0.149.1
Model: gpt-5.6-sol
Reasoning-Effort: xhigh
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njzjz-bot force-pushed the docs/issue-304-lammps-extra-files branch from b472b34 to 23dee80 Compare August 26, 2026 11:00
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Missing file for "use_srtab" in run_lmp

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