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Numint reset#69

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awvwgk merged 6 commits into
microsoft:mainfrom
awvwgk:numint-reset
May 10, 2026
Merged

Numint reset#69
awvwgk merged 6 commits into
microsoft:mainfrom
awvwgk:numint-reset

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@awvwgk awvwgk commented May 9, 2026

  • new patched PySCF and GPU4PySCF grid classes for disabling grid sorting
  • proper handling of initialize_grid for GPU4PySCF
  • implement reset method in SkalaNumInt required by GPU4PySCF

Closes #67

awvwgk and others added 5 commits May 9, 2026 10:24
@awvwgk awvwgk force-pushed the numint-reset branch 2 times, most recently from da3098a to a1c7635 Compare May 10, 2026 21:30
@awvwgk awvwgk merged commit f99cff7 into microsoft:main May 10, 2026
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@awvwgk awvwgk deleted the numint-reset branch May 10, 2026 21:57
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Custom SkalaNumInt does not implement reset method

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