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Spread workflow automation
- #2
#2
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dwpaley
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Spread workflow automation
#2
dwpaley
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dwpaley/cctbx_project:master
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Commits
Commits on Mar 20, 2026
first draft prepare_spread
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6a54223
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set settings path
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Little changes
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rename files
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small features: slurm concurrency, log scraping, bugfix
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bugfixes for slurm
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add experimental equal-width binning mode
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scrape multiplicity from merging logs
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scrape Rfree values
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simplify log scraping for resolution ranges
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provide for faster feedback. configurable nnodes, preliminary multiplicity values
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update default nnodes
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Commits on Mar 25, 2026
Revert "set settings path"
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add documentation
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prepare_spread: fix critical bash quoting and add parameter validation
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prepare_spread: comprehensive bash quoting and validation improvements
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add newline at EOF
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