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get rid of all stress/n_atoms #443

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merged 3 commits into from
Jun 6, 2024
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bernstei
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@bernstei bernstei commented Jun 4, 2024

get rid of delta_stress_per_atom and RMSE_stress_per_atom in tools/train.py, since stress is already intensive and does not need to be divided by number of atoms.

closes #442

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bernstei commented Jun 6, 2024

@ilyes319 what do you think of this one?

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ilyes319 commented Jun 6, 2024

Merging also.

@ilyes319 ilyes319 merged commit 346999c into multi-head-interface Jun 6, 2024
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3 participants