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Collagen fibril test system not running #405

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5 of 8 tasks

ehhartmann opened this issue Mar 5, 2024 · 0 comments

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ehhartmann commented Mar 5, 2024 •

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run parameterization once (on cascade?)
implement focus for reparameterization
validate homolysis rate against old kimmdy
check install on cascade
check radical occupation analysis script
make very long kimmdy run work (checkpoint/jobscript)
production run (requires HAT retraining) (long)
plot path (maybe add extra arrows)

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[feature] kimmdy checkpoint revamp #402

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