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[Feature Request] support relative and atomic model deviation for CLI #2017

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njzjz opened this issue Oct 21, 2022 · 0 comments · Fixed by #2801
Closed

[Feature Request] support relative and atomic model deviation for CLI #2017

njzjz opened this issue Oct 21, 2022 · 0 comments · Fixed by #2801
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enhancement

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@njzjz
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njzjz commented Oct 21, 2022

Summary

Currently, C++ API and the LAMMPS module have supported relative and atomic model deviation. The Python API and CLI can support this feature as well.

Detailed Description

Something like dp model-devi --relative 1.0 --atomic.

Further Information, Files, and Links
njzjz added a commit to njzjz/deepmd-kit that referenced this issue Sep 9, 2023
@njzjz
support atomic/relative model deviation in CLI
2046592 
Fix deepmodeling#2017.

Signed-off-by: Jinzhe Zeng <[email protected]>
@njzjz njzjz mentioned this issue Sep 9, 2023
Merged
@njzjz njzjz linked a pull request Sep 9, 2023 that will close this issue
support atomic/relative model deviation in CLI #2801
Merged
wanghan-iapcm pushed a commit that referenced this issue Sep 12, 2023
@njzjz @pre-commit-ci
support atomic/relative model deviation in CLI (#2801)
b6ff8aa 
Fix #2017.

---------

Signed-off-by: Jinzhe Zeng <[email protected]>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@njzjz njzjz closed this as completed Sep 12, 2023
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support atomic/relative model deviation in CLI njzjz/deepmd-kit
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