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@njzjz Could you please look into the reason for this issue? |
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"When using VASP's machine learning (ML) features, the OUTCAR file generated with ML_ISTART = 2 cannot be fully read by dpdata; it only reads a single frame." The OUTCAR file is in the attachment.
This is my extraction script:
import dpdata
system = dpdata.LabeledSystem("OUTCAR", fmt="vasp/outcar", ml=True)
system.to_deepmd_npy("deepmd_data_ml")
I hope you can help me, thank you!
OUTCAR.txt
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