Release 1.0#151

Merged

wavefunction91 merged 9 commits intomasterfrom

Sep 8, 2025

Commits on Jul 16, 2025

Merged PR 5281: Update basis test files: rename 6-31g* to 6-31g-star for Windows compatibility

Mason Wheeler
authored and
wavefunction91
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Merged PR 5214: Implement RKS MGGA gradients
wavefunction91
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Merged PR 5354: UKS Gradients
wavefunction91
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Merged PR 5423: Add psi and phix calculation for lightaimd ddx calculation

Yingrong Chen (AQUENT LLC)
authored and
wavefunction91
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Merged PR 5956: Bug-Fix to memory over allocation in unique cases

Mason Wheeler
authored and
wavefunction91
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Merged PR 6270: Enable Spherical SNK for GPU
wavefunction91
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Merged PR 6233: Add eval_fxc_contraction

Jiashu Liang (APTLY TECHNOLOGY CORPORATION)
authored and
wavefunction91
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Merged PR 6480: CPU implementation of weight 1st derivative

Jiashu Liang (APTLY TECHNOLOGY CORPORATION)
authored and
wavefunction91
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Commits on Aug 1, 2025

Merged PR 6685: Release Candidate 1.0
wavefunction91
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