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Fix: remove the reading of ntype in the parsing of abacus structure#394

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wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
pxlxingliang:ntype
Dec 15, 2022
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Fix: remove the reading of ntype in the parsing of abacus structure#394
wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
pxlxingliang:ntype

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The latest ABACUS 3.0.5 have removed the key word ntype in INPUT

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Codecov Report

Base: 82.36% // Head: 82.36% // Decreases project coverage by -0.00% ⚠️

Coverage data is based on head (4249877) compared to base (c218a77).
Patch coverage: 100.00% of modified lines in pull request are covered.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #394      +/-   ##
==========================================
- Coverage   82.36%   82.36%   -0.01%     
==========================================
  Files          67       67              
  Lines        5909     5903       -6     
==========================================
- Hits         4867     4862       -5     
+ Misses       1042     1041       -1     
Impacted Files Coverage Δ
dpdata/abacus/scf.py 94.29% <100.00%> (+0.28%) ⬆️

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@wanghan-iapcm wanghan-iapcm merged commit 6b1bb7e into deepmodeling:devel Dec 15, 2022
@pxlxingliang pxlxingliang deleted the ntype branch January 19, 2023 06:42
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3 participants