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fix bug of duplicated atom names in vasp output #250

Merged
merged 8 commits into from
Feb 26, 2022
Merged

fix bug of duplicated atom names in vasp output #250

merged 8 commits into from
Feb 26, 2022

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amcadmus
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@amcadmus amcadmus commented Feb 25, 2022 •
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Fixes #248

@amcadmus amcadmus requested a review from njzjz February 25, 2022 03:17
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codecov-commenter commented Feb 25, 2022 •
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Codecov Report

Merging #250 (898a856) into devel (b62f67a) will increase coverage by 0.09%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #250      +/-   ##
==========================================
+ Coverage   82.00%   82.09%   +0.09%     
==========================================
  Files          59       60       +1     
  Lines        5124     5150      +26     
==========================================
+ Hits         4202     4228      +26     
  Misses        922      922
Impacted Files Coverage Δ
dpdata/plugins/vasp.py 100.00% <100.00%> (ø)
dpdata/system.py 80.06% <100.00%> (-0.85%) ⬇️
dpdata/utils.py 100.00% <100.00%> (ø)

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@wanghan-iapcm wanghan-iapcm merged commit 2c90f17 into deepmodeling:devel Feb 26, 2022
@amcadmus amcadmus deleted the fix-248 branch February 26, 2022 12:26
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kimiaGF commented Mar 3, 2022

I noticed the branch was merged, has this been fixed? Should I now build from source to be able to use the updated files?

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I noticed the branch was merged, has this been fixed? Should I now build from source to be able to use the updated files?

Yes please

This was referenced Nov 2, 2023
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wanghan-iapcm pushed a commit that referenced this pull request Nov 7, 2023
@njzjz
fix duplicated elements in vasp/xml (#575)
e948661 
Fix #480.

#250 doesn't handle this situation.

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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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@njzjz njzjz njzjz approved these changes

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@amcadmus @codecov-commenter @kimiaGF @wanghan-iapcm @njzjz