Add geometry optimization and geomeTRIC plugin#522

Draft

nabbelbabbel wants to merge 17 commits into

mainfrom

Commits on Jun 1, 2026

Add nuclear derivative calculators
Jan Unsleber
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Commits on Jun 2, 2026

add qdk path and rs-hybrid support
Jan Unsleber
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Commits on Jun 3, 2026

fixes
Jan Unsleber
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Merge remote-tracking branch 'origin/main' into jpu/nuc-deriv
Jan Unsleber
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fix mcscf/casci num-grads and add settings descriptions
Jan Unsleber
committed

Commits on Jun 5, 2026

comments
Jan Unsleber
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resolve comments
Jan Unsleber
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Merge remote-tracking branch 'origin/main' into jpu/nuc-deriv
Jan Unsleber
committed

Commits on Jun 6, 2026

cleaning
Jan Unsleber
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Merge remote-tracking branch 'origin/main' into jpu/nuc-deriv
Jan Unsleber
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resolve comment
Jan Unsleber
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fixes
Jan Unsleber
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comments
Jan Unsleber
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Commits on Jun 8, 2026

initial draft
Jan Unsleber
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add tsopt
Jan Unsleber
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Merge remote-tracking branch 'origin/main' into jpu/geo-opt
Jan Unsleber
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fixes
Jan Unsleber
committed