Comments (2)
mshuaibii
commented on July 30, 2024
1
- Yup that's fine, you don't need to worry about that.
regress_forcescontrols the output force blocks that get created, even if you don't need forces you should keep this to True to match the pretrained checkpoints. You can just use the energy information from the predictions and ignore forces.
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hoon-ock
commented on July 30, 2024
Thank you!
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