Fix warning message about uncertainties #31
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Luthaf
reviewed
Nov 14, 2025
| 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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no, the threshold value is in whatever unit is being used by lammps, not always eV
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This means "53 other atoms", not the atom at index 53, we can make it clearer for sure |
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This warning isn't too descriptive. Why is 53 separated from the others? And 0.1 what?