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smparker / mudslide Public

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Only compute what you need#15

Merged

smparker merged 5 commits intomastersmparker/mudslide:masterfrom

computewhatyouneedsmparker/mudslide:computewhatyouneedCopy head branch name to clipboard

Feb 5, 2026

Conversation Commits5 (5)Checks Files changed

Merged

Only compute what you need#15
smparker merged 5 commits intomasterfrom
computewhatyouneed

Commits

Commits on Feb 4, 2026

add selective gradient/coupling computation infrastructure

smparker
and
claude
committed
skip rdgrad when ground state gradient not needed

smparker
and
claude
committed
parse exopt outputs in egrad
smparker
committed
backfill gradient index with exopt data
smparker
committed
turbomole model only computes requested gradients by default
smparker
committed

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