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cclib / cclib-data Public

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Updates for increased rotational constant testing#225

Merged

berquist merged 3 commits into

cclib:mastercclib/cclib-data:masterfrom

berquist:more-rotational-constantsberquist/cclib-data:more-rotational-constantsCopy head branch name to clipboard

Jun 20, 2025

Conversation Commits3 (3)Checks Files changed

Merged

Updates for increased rotational constant testing#225
berquist merged 3 commits into
cclib:masterfrom
berquist:more-rotational-constants

Commits

Commits on Jun 20, 2025

DALTON: set molecule/basis print level for moment of inertia tensor
berquist
committed
ORCA: pre-4.1 calculations don't print rotational constants
berquist
committed
DALTON: specify DALTON-specific SP test
berquist
committed

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