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implement electronic configuration embedding #3609

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merged 5 commits into from
Mar 27, 2024

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wanghan-iapcm
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from mendeleev import (
element,
)
except ImportError:

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Code scanning / CodeQL

Empty except Note

'except' clause does nothing but pass and there is no explanatory comment.
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codecov bot commented Mar 27, 2024

Codecov Report

Attention: Patch coverage is 88.00000% with 6 lines in your changes are missing coverage. Please review.

Project coverage is 77.72%. Comparing base (1423750) to head (e8c58f1).

Files Patch % Lines
deepmd/utils/econf_embd.py 88.00% 6 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3609      +/-   ##
==========================================
+ Coverage   77.71%   77.72%   +0.01%     
==========================================
  Files         433      434       +1     
  Lines       37471    37521      +50     
  Branches     1620     1620              
==========================================
+ Hits        29120    29164      +44     
- Misses       7490     7496       +6     
  Partials      861      861              

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@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Mar 27, 2024
Merged via the queue into deepmodeling:devel with commit f16d543 Mar 27, 2024
48 checks passed
@wanghan-iapcm wanghan-iapcm deleted the econf-embd branch March 27, 2024 13:47
@njzjz njzjz mentioned this pull request Apr 2, 2024
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2 participants