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Update benchmarks#57

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wxj6000 merged 13 commits intopyscf:masterpyscf/gpu4pyscf:masterfrom bytedance:update-benchmarksbytedance/gpu4pyscf:update-benchmarksCopy head branch name to clipboardNov 19, 2023

+571-1,048

Commits

Commits on Oct 25, 2023

• Add chelpg charges in qmmm folder. (#1)

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  puzhichen

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Commits on Oct 27, 2023

• Merge branch 'pyscf:master' into master

  wxj6000

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Commits on Nov 3, 2023

• Merge branch 'pyscf:master' into master

  wxj6000

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Commits on Nov 9, 2023

• Merge branch 'pyscf:master' into master

  wxj6000

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• Merge branch 'pyscf:master' into master

  wxj6000

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Commits on Nov 13, 2023

• Merge branch 'pyscf:master' into master

  wxj6000

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Commits on Nov 14, 2023

• switch ipynb -> py

  wxj6000

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• add license declaimer

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Commits on Nov 17, 2023

• remove large molecule in unit test

  wxj6000

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Commits on Nov 19, 2023

• transpose grad pcm matrices

  wxj6000

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• accelerated unit test

  wxj6000

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  d5205e4

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• add cuquantum back

  wxj6000

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  796b5a6

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• improved unit test

  wxj6000

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