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dwpaley / cctbx_project Public

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Spread workflow automation - #2

#2

Open

dwpaley wants to merge 17 commits into

masterdwpaley/cctbx_project:masterfrom

spread_workflow_automationdwpaley/cctbx_project:spread_workflow_automationCopy head branch name to clipboard

Conversation Commits17 (17)Checks Files changed

Open

Spread workflow automation#2
dwpaley wants to merge 17 commits into
masterfrom
spread_workflow_automation

Commits

Commits on Mar 20, 2026

first draft prepare_spread
dwpaley
committed
set settings path
dwpaley
committed
Little changes
dwpaley
committed
rename files
dwpaley
committed
small features: slurm concurrency, log scraping, bugfix
dwpaley
committed
bugfixes for slurm
dwpaley
committed
add experimental equal-width binning mode
dwpaley
committed
scrape multiplicity from merging logs
dwpaley
committed
scrape Rfree values
dwpaley
committed
simplify log scraping for resolution ranges
dwpaley
committed
provide for faster feedback. configurable nnodes, preliminary multiplicity values
dwpaley
committed
update default nnodes
dwpaley
committed

Commits on Mar 25, 2026

Revert "set settings path"
dwpaley
committed
add documentation
dwpaley
committed
prepare_spread: fix critical bash quoting and add parameter validation

dwpaley
and
claude
committed
prepare_spread: comprehensive bash quoting and validation improvements

dwpaley
and
claude
committed
add newline at EOF
dwpaley
committed

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