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Fix warning message about uncertainties #31

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Fix warning message about uncertainties #31

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2 changes: 1 addition & 1 deletion src/ML-METATOMIC/pair_metatomic.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -718,7 +718,7 @@ void PairMetatomic::compute(int eflag, int vflag) {

error->warning(FLERR,
"The uncertainty on atomic energies for {} are larger than "
"the threshold of {}. Be careful when analyzing the results, "
"the threshold of {} eV/atom. Be careful when analyzing the results, "
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@Luthaf Luthaf Nov 14, 2025

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no, the threshold value is in whatever unit is being used by lammps, not always eV

"and consider retraining the model to better describe these "
"configurations.",
atoms_message.str(), mta_data->uncertainty_threshold
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