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feat: calculate the real error in dp model-devi#2757

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wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
njzjz:real_error
Aug 24, 2023
Merged

feat: calculate the real error in dp model-devi#2757
wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
njzjz:real_error

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@njzjz njzjz commented Aug 23, 2023

This PR adds a new argument dp model-devi --real_error. With that, the real error given in the DP-GEN paper is calculated.

Screenshot from 2023-08-23 15-43-57

One can use this feature for dpgen simplify if the labeled data exists.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Aug 23, 2023

Codecov Report

Patch coverage: 100.00% and no project coverage change.

Comparison is base (1db2195) 78.71% compared to head (27b55ea) 78.72%.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2757   +/-   ##
=======================================
  Coverage   78.71%   78.72%           
=======================================
  Files         241      241           
  Lines       25589    25608   +19     
  Branches     1517     1517           
=======================================
+ Hits        20143    20160   +17     
  Misses       5056     5056           
- Partials      390      392    +2     
Files Changed Coverage Δ
deepmd/infer/model_devi.py 96.00% <100.00%> (+0.67%) ⬆️
deepmd_cli/main.py 100.00% <100.00%> (ø)

... and 1 file with indirect coverage changes

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@wanghan-iapcm wanghan-iapcm merged commit f8bb170 into deepmodeling:devel Aug 24, 2023
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