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Commits on Feb 26, 2025

• Repair #108 and add all-spin-up unittest (#112) (#113)

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Commits on Feb 25, 2025

• Merge pull request #114 from Dayou-Zhang/otfnal-custom

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Commits on Feb 18, 2025

• Merge pull request #108 from matthew-hennefarth/fix-get-ratio

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Commits on Jan 24, 2025

• Merge pull request #102 from shuhangli98/dsrg-mrpt

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Commits on Jan 22, 2025

• Merge pull request #104 from sunqm/1.0.3

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Commits on Jan 10, 2025

• PySCF v2.8.0 compatibility

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• Merge pull request #99 from JangidBhavnesh/master

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Commits on Jan 6, 2025

• Merge pull request #97 from jeanwsr/cmake-xc

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Commits on Jan 4, 2025

• Merge pull request #95 from baopengbp/master

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Commits on Jan 3, 2025

• Merge pull request #93 from JangidBhavnesh/master

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• Merge branch 'master' into tMGGA

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• 'MC23': 'tMC23' alias in otfnal

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• Merge pull request #96 from jeanwsr/pdft

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Commits on Dec 18, 2024

• Merge pull request #89 from sunqm/pep-625

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Commits on Dec 17, 2024

• Merge pull request #91 from MatthewRHermes/libxc_7.0.0

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Commits on Dec 12, 2024

• Merge pull request #88 from sunqm/bump-version-1.0.2

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Commits on Dec 9, 2024

• Update to libxc 7.0.0

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Commits on Dec 4, 2024

• Merge pull request #84 from sunqm/trexio-contracted-basis

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Commits on Nov 9, 2024

• Enable PySCF 3.10 and 3.12 unit tests in CI (#78)

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Commits on Nov 1, 2024

• Merge pull request #76 from matthew-hennefarth/hybrid-decomp

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• Merge pull request #75 from matthew-hennefarth/pdft-dip-example

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• Merge pull request #74 from sunqm/setuptools-70

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Commits on Oct 30, 2024

• Merge pull request #72 from MatthewRHermes/pyscf_2.7

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• Merge pull request #73 from sunqm/bump-version

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• Update CHANGELOG

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Commits on Sep 27, 2024

• Loosen test tolerance of mcpdft scanner

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• PySCF #2186 MC-PDFT test fix (#71)

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• Update GitHub actions to Python 3.8 (#69)

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Commits on Sep 18, 2024

• Merge pull request #66 from MatthewRHermes/numpy_2_compat

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Commits on Sep 10, 2024

• Remove unnecessary import

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Commits on Sep 9, 2024

• Use PySCF isinteger function

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• numpy 2.0 safety: int vs np.integer

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• Merge pull request #64 from JangidBhavnesh/master

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Commits on Aug 9, 2024

• Merge pull request #60 from sunqm/trexio-itrf

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Commits on Jul 15, 2024

• Merge pull request #56 from sunqm/README

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