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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.
The text was updated successfully, but these errors were encountered:
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.
The text was updated successfully, but these errors were encountered: