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Clarify component-wise force metrics in parity plot - #614
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cw-tan merged 2 commits intoSep 21, 2026
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Thanks for the contribution. I guess to be more specific, maybe "component-wise" or "element-wise" is more precise? Just "Force component metrics" implies the x,y,z decomposition to me, i.e. one metric for cartesian component. |
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Thanks for catching that. You're right that "Force Component Metrics" can read as separate x, y, and z metrics. The script pools all Cartesian components into each scalar metric, so I've revised the heading to "Component-Wise Force Metrics" for precision. |
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The parity plot flattens force arrays before calculating MAE, RMSE, and MaxAE, so these are component-wise metrics rather than per-atom vector-magnitude errors. Label the console section explicitly to make reported benchmark conventions unambiguous. No numerical behavior changes.