deepmodeling / dpdata

A Python package for manipulating atomistic data of software in computational science
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
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[BUG] only "VOLUME and BASIS-vectors are now included. " #522

Open HYEPIC opened 1 year ago

HYEPIC commented 1 year ago

Summary

When I used vasp's machine learning to simulate aimd, the structure obtained through his OUTCAR combined with dpdata was much less than the actual simulated structure, and I found that it was because only "VOLUME and BASIS-vectors are now included. "The image of the row will be extracted and I would be grateful if you would consider fixing the issue.

Steps to Reproduce

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