kenref: new module for kinetic ensemble refinement against NMR data - #1436

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aalhossary wants to merge 12 commits into

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Smith-Group:kenref-module-upstream

Commits on Aug 3, 2026

kenref: new module for kinetic ensemble refinement against NMR data
aalhossary
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5cd8d72
kenref: documentation, regression test, and house style
aalhossary
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4cd3a17
kenref: satisfy plumedcheck (namespaces and include form)
aalhossary
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9178c4e

Commits on Aug 4, 2026

kenref: build the module in CI, and make --enable-modules=all safe
aalhossary
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0eb5766
kenref: fail fast in CI when the pinned KEnRef is too old
aalhossary
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5842ae6
kenref: key the CI cache on the pinned commit, not just the script
aalhossary
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f658c1c
kenref: do not $(error) on goals that PLUMED's tooling runs
aalhossary
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7701966
kenref: name the module authors
aalhossary
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0d8524c
kenref: silence cppcheck's unknownMacro on the action registration
aalhossary
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e19d876
kenref: correct the reason given for the cppcheck suppression
aalhossary
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4369f1d
kenref: exclude __PLUMED_HAS_KENREF from cppcheck, and undo a bad push
aalhossary
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aa70842
kenref: cite the papers the module implements
aalhossary
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e90a785