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[BUG] only "VOLUME and BASIS-vectors are now included. " #522

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HYEPIC opened this issue Aug 9, 2023 · 0 comments
Open

[BUG] only "VOLUME and BASIS-vectors are now included. " #522

HYEPIC opened this issue Aug 9, 2023 · 0 comments
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bug Something isn't working help wanted Extra attention is needed vasp

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@HYEPIC
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HYEPIC commented Aug 9, 2023

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.

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@HYEPIC HYEPIC added the bug Something isn't working label Aug 9, 2023
@njzjz njzjz added the help wanted Extra attention is needed label Sep 6, 2023
@njzjz njzjz added the vasp label Nov 5, 2023
@njzjz njzjz changed the title [BUG] _Replace With Suitable Title_ [BUG] only "VOLUME and BASIS-vectors are now included. " Nov 28, 2023
njzjz added a commit to njzjz/dpdata that referenced this issue May 11, 2024
@njzjz
benchmark performance of import
89fe364 
Do a benchmark before working on deepmodeling#522

Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz mentioned this issue May 11, 2024
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@njzjz @HYEPIC