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NWChemEx / SCF Public

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DIIS#29

Merged

jwaldrop107 merged 6 commits intomasterNWChemEx/SCF:masterfrom

diisNWChemEx/SCF:diisCopy head branch name to clipboard

Jun 24, 2025

Conversation Commits6 (6)Checks Files changed

Merged

DIIS#29
jwaldrop107 merged 6 commits intomasterfrom
diis

Commits

Commits on Jun 20, 2025

SCF loop rewritten with DIIS option
jwaldrop107
committed
DIIS acceleration working, but not compatible with uncertain values
jwaldrop107
committed

Commits on Jun 23, 2025

remove floating point type restrictions from tests
jwaldrop107
committed
Committing clang-format changes
github-actions[bot]
committed

Commits on Jun 24, 2025

DIIS default on

jwaldrop107
and
ryanmrichard
authored
update test settings for DIIS default
jwaldrop107
committed

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