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support nopbc#196

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amcadmus merged 1 commit into
deepmodeling:develfrom
njzjz:patch-2
Dec 28, 2019
Merged

support nopbc#196
amcadmus merged 1 commit into
deepmodeling:develfrom
njzjz:patch-2

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@njzjz

@njzjz njzjz commented Dec 21, 2019

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waiting for deepmd?

@amcadmus

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For "use_cluseter", do we have to manually touch nopbc in each data system?

@codecov-io

codecov-io commented Dec 21, 2019

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Codecov Report

Attention: Patch coverage is 0% with 4 lines in your changes missing coverage. Please review.

Project coverage is 23.13%. Comparing base (73c3c35) to head (71b42c9).
Report is 1291 commits behind head on devel.

Files with missing lines Patch % Lines
dpgen/generator/run.py 0.00% 4 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #196      +/-   ##
==========================================
- Coverage   23.38%   23.13%   -0.25%     
==========================================
  Files          80       84       +4     
  Lines       13121    13988     +867     
==========================================
+ Hits         3068     3236     +168     
- Misses      10053    10752     +699     

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@njzjz

njzjz commented Dec 21, 2019

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For "use_cluseter", do we have to manually touch nopbc in each data system?

yes, but not manually. It can be implemented in deepmodeling/dpdata#70.

@amcadmus amcadmus merged commit c4e112a into deepmodeling:devel Dec 28, 2019
@njzjz njzjz deleted the patch-2 branch March 25, 2021 18:45
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3 participants