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Fix the usage of pair_coeff in auto_test #698

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merged 1 commit into from
Apr 20, 2022

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AnguseZhang
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See #567 and #697

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codecov-commenter commented Apr 10, 2022

Codecov Report

Merging #698 (ffdce01) into devel (9e3b958) will not change coverage.
The diff coverage is 100.00%.

@@           Coverage Diff           @@
##            devel     #698   +/-   ##
=======================================
  Coverage   33.94%   33.94%           
=======================================
  Files          86       86           
  Lines       15424    15424           
=======================================
  Hits         5235     5235           
  Misses      10189    10189           
Impacted Files Coverage Δ
dpgen/auto_test/lib/lammps.py 27.12% <100.00%> (ø)

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Please also fix

and other related codes.

@AnguseZhang
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AnguseZhang commented Apr 10, 2022

pair_coeff

Does a normal LAMMPS without DeePMD also require pair_coeff * *? @njzjz

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njzjz commented Apr 10, 2022

pair_coeff

Does a normal LAMMPS without DeePMD also require pair_coeff * *? @njzjz

I think it't not support any more in a new version of LAMMPS.

@wanghan-iapcm
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See also #696

@wanghan-iapcm wanghan-iapcm merged commit 0b36b59 into deepmodeling:devel Apr 20, 2022
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4 participants