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emdgroup
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mdfactory
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feat: add --clean flag to simulate for resetting output directories
- #39
#39
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gregorweiss
merged 5 commits into
feat/parsl-simulate
emdgroup/mdfactory:feat/parsl-simulate
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feature/issue-38-clean-flag-simulate
emdgroup/mdfactory:feature/issue-38-clean-flag-simulate
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Aug 11, 2026
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feat: add --clean flag to simulate for resetting output directories
#39
gregorweiss
merged 5 commits into
feat/parsl-simulate
emdgroup/mdfactory:feat/parsl-simulate
from
feature/issue-38-clean-flag-simulate
emdgroup/mdfactory:feature/issue-38-clean-flag-simulate
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Commits
Commits on Aug 11, 2026
chore: open PR for issue 38
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02e832b
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feat: add --clean flag to simulate and fix stale-cpt detection
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63d88b1
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docs: add --clean flag to CLI reference, troubleshooting, and HPC guide
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dc847d4
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test: add integration tests for clean=True wiring in run_simulations
gregorweiss
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a2ec675
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style: apply ruff formatting
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d702b67
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