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Release 1.0.2 #88

Merged
merged 6 commits into from
Dec 12, 2024
Merged

Release 1.0.2 #88

merged 6 commits into from
Dec 12, 2024

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sunqm
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@sunqm sunqm commented Dec 4, 2024 •
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@Dayou-Zhang I'm not sure if the citation in dcfnal.py is accurate. Please correct me and add more if I missed any.

@sunqm sunqm force-pushed the bump-version-1.0.2 branch from bc24686 to 06648aa Compare December 4, 2024 21:02
@Dayou-Zhang
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@sunqm Here is a list of citations associated with the MC-DCFT code. Can you please update it for me? Thank you.

Reference:
[1] Multiconfiguration Density-Coherence Functional Theory
    Dayou Zhang, Matthew R. Hermes, Laura Gagliardi and Donald G. Truhlar
    J. Chem. Theory Comput. 2021 17 (5), 2775-2782
    DOI: 10.1021/acs.jctc.0c01346
[2] DC24: A new density coherence functional for multiconfiguration
    density-coherence functional theory. 
    Dayou Zhang, Yinan Shu and Donald G. Truhlar
    J. Comput. Chem. 2024.
    DOI: 10.1002/jcc.27522

@sunqm sunqm marked this pull request as ready for review December 6, 2024 22:24
@sunqm sunqm requested a review from MatthewRHermes December 11, 2024 21:50
@MatthewRHermes MatthewRHermes merged commit 8fb92d6 into pyscf:master Dec 12, 2024
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@sunqm sunqm deleted the bump-version-1.0.2 branch December 13, 2024 16:55
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@sunqm @Dayou-Zhang @MatthewRHermes