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Unfinished HFine functionality #85

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patrick-austin opened this issue Jun 9, 2023 · 0 comments
Open

Unfinished HFine functionality #85

patrick-austin opened this issue Jun 9, 2023 · 0 comments
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enhancement New feature or request

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@patrick-austin
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As noted in #83, the ChargeDistribution.HFine function is unused in any of the commandline functions. Based on discussion with @leandro-liborio this was likely the start of an effort to observe quantum effects occuring when replacing a H with muon in materials containing for example organic radicals. This will have an (averaged) effect on the hyperfine interactions.

If this is a desirable, feature, this code should be fully analysed and development of this feature continued.

@patrick-austin patrick-austin added the enhancement New feature or request label Jun 9, 2023
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