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breaking: change the default value of rcond from 1e-3 to None #2688

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merged 3 commits into from Jul 20, 2023

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@njzjz njzjz commented Jul 19, 2023

This is a breaking change. rcond=1e-3 is found inaccurate. Using NumPy's default value is more accurate and not too slow.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Jul 19, 2023

Codecov Report

Patch coverage: 80.00% and project coverage change: +0.01 🎉

Comparison is base (a2995b8) 78.36% compared to head (ab29eba) 78.37%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2688      +/-   ##
==========================================
+ Coverage   78.36%   78.37%   +0.01%     
==========================================
  Files         235      235              
  Lines       24506    24506              
  Branches     1469     1469              
==========================================
+ Hits        19204    19207       +3     
+ Misses       4910     4907       -3     
  Partials      392      392              
Impacted Files Coverage Δ
deepmd/fit/dos.py 48.40% <ø> (ø)
deepmd/fit/ener.py 88.67% <ø> (ø)
deepmd/fit/polar.py 66.83% <0.00%> (ø)
deepmd/utils/argcheck.py 95.63% <100.00%> (ø)
deepmd/utils/data_system.py 84.00% <100.00%> (ø)
deepmd/utils/multi_init.py 79.51% <100.00%> (ø)

... and 2 files with indirect coverage changes

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@wanghan-iapcm wanghan-iapcm merged commit 3b79fa9 into deepmodeling:devel Jul 20, 2023
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3 participants