CommitteeUncertainty compatibility with ACEHAL BiasCalculator #175
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Not sure what this wheel-building failure on ARM Linux is, but I think it's nothing to do with your changes? https://github.com/libAtoms/matscipy/pull/175/checks?check_run_id=15526579029 |
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Yes, I don't think my changes would have broken this, not sure where the issue is. There aren't any changes to the function call pattern, or the return from the function (except if a committee member itself absolutely required a "committee_*" property to be defined, but I think this is an extreme edge case) |
jameskermode
approved these changes
Aug 23, 2023
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Adds compatibility with ACEHAL BiasCalculator (https://github.com/ACEsuit/ACEHAL/blob/main/ACEHAL/bias_calc.py), which allows non-ACE models to use HAL-like features.
No real change to normal use of calculator, all BiasCalculator-specific features contained in new self.results_extra dict.