feat: reuse relaxation CHGCAR for init MD - #1963
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Coding-Agent: Codex Codex-Version: codex-cli 0.149.0 Model: gpt-5.6-sol Reasoning-Effort: xhigh
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Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## master #1963 +/- ##
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+ Coverage 49.80% 50.46% +0.66%
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Files 83 83
Lines 14986 14998 +12
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+ Hits 7464 7569 +105
+ Misses 7522 7429 -93 ☔ View full report in Codecov by Harness. 🚀 New features to boost your workflow:
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Summary
reuse_relax_chgcarUsers remain responsible for compatible VASP restart settings in the MD INCAR.
Testing
/tmp/dpgen-test-env/bin/python -m unittest tests.data.test_init_chgcar tests.data.test_gen_bulk tests.test_check_examples -vruff check dpgen/data/gen.py dpgen/data/arginfo.py tests/data/test_init_chgcar.pyruff format --check dpgen/data/gen.py dpgen/data/arginfo.py tests/data/test_init_chgcar.pyFixes #1836
Coding agent: Codex
Codex version: codex-cli 0.149.0
Model: gpt-5.6-sol
Reasoning effort: xhigh