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Spin contamination #101

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gustavojra opened this issue Aug 8, 2021 · 0 comments
Open

Spin contamination #101

gustavojra opened this issue Aug 8, 2021 · 0 comments
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enhancement New feature or request good first issue Good for newcomers HartreeFock concerning HF methods

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@gustavojra
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Adding spin contamination metric (perhaps even as field of UHF) would be great. We might want that to always be displayed at the end.
@gustavojra gustavojra added enhancement New feature or request good first issue Good for newcomers HartreeFock concerning HF methods labels Aug 8, 2021
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enhancement New feature or request good first issue Good for newcomers HartreeFock concerning HF methods
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