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The initial: Epoch 0: loss=0.0261, RMSE_E_per_atom=51.1 meV, RMSE_F=8.5 meV / A The energy RMSE decreases but force RMSE increases dramatically. I want to know how to solve it. Thank you very much!
Training logs are attached: |
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Answered by
ilyes319
Mar 20, 2024
Replies: 1 comment 1 reply
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Can you check if you gave the correct force key in your xyz. I would guess your forces are all zeros atm. |
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phys-chem
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Can you check if you gave the correct force key in your xyz. I would guess your forces are all zeros atm.