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fix: generate MEAM and EAM-alloy commands - #1945

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fix: generate MEAM and EAM-alloy commands#1945
njzjz-bot wants to merge 1 commit into
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codex/fix-1896-lammps-potential-models

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Summary

  • Keep the two MEAM model filenames in the flat list expected by the LAMMPS input writer.
  • Emit the EAM-alloy filename rather than the Python list representation.
  • Add command-generation regression tests for both documented interaction types.

Tests

  • python -m unittest tests.auto_test.test_lammps.TestLammps.test_meam_model_parameters_generate_two_file_command tests.auto_test.test_lammps.TestLammps.test_eam_alloy_command_uses_plain_filename -v
  • ruff check dpgen/auto_test/Lammps.py dpgen/auto_test/lib/lammps.py tests/auto_test/test_lammps.py
  • ruff format --check dpgen/auto_test/Lammps.py dpgen/auto_test/lib/lammps.py tests/auto_test/test_lammps.py

Fixes #1896

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

Fixes #1896

Coding-Agent: Codex

Codex-Version: codex-cli 0.149.0

Model: gpt-5.6-sol

Reasoning-Effort: xhigh
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coderabbitai Bot commented Aug 23, 2026

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📥 Commits

Reviewing files that changed from the base of the PR and between d5ce577 and 7e18559.

📒 Files selected for processing (3)
  • dpgen/auto_test/Lammps.py
  • dpgen/auto_test/lib/lammps.py
  • tests/auto_test/test_lammps.py

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@codecov

codecov Bot commented Aug 23, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 50.00%. Comparing base (d5ce577) to head (7e18559).

Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1945      +/-   ##
==========================================
+ Coverage   49.80%   50.00%   +0.19%     
==========================================
  Files          83       83              
  Lines       14986    14986              
==========================================
+ Hits         7464     7493      +29     
+ Misses       7522     7493      -29     

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[Code scan] Fix MEAM and EAM-alloy LAMMPS autotest input generation

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