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support nopbc#70

Merged
amcadmus merged 9 commits into
deepmodeling:develfrom
njzjz:nopbc
Dec 30, 2019
Merged

support nopbc#70
amcadmus merged 9 commits into
deepmodeling:develfrom
njzjz:nopbc

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@njzjz

@njzjz njzjz commented Dec 21, 2019

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(waiting for deepmd?)

@codecov-io

codecov-io commented Dec 21, 2019

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Codecov Report

Merging #70 into devel will increase coverage by 0.1%.
The diff coverage is 96.15%.

Impacted file tree graph

@@            Coverage Diff            @@
##            devel      #70     +/-   ##
=========================================
+ Coverage   86.61%   86.71%   +0.1%     
=========================================
  Files          21       21             
  Lines        2248     2273     +25     
=========================================
+ Hits         1947     1971     +24     
- Misses        301      302      +1
Impacted Files Coverage Δ
dpdata/deepmd/comp.py 96.84% <100%> (+0.29%) ⬆️
dpdata/gaussian/log.py 100% <100%> (ø) ⬆️
dpdata/deepmd/raw.py 93.84% <100%> (+0.86%) ⬆️
dpdata/system.py 82.99% <88.88%> (+0.05%) ⬆️

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@amcadmus

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Shall we unittest for other format the default data['nopbc'] is False?

@njzjz

njzjz commented Dec 30, 2019

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Done.

@amcadmus amcadmus merged commit 8dac1f5 into deepmodeling:devel Dec 30, 2019
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3 participants