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avoid decreasing precision for ASE atoms#437

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wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
njzjz:avoid-decreasing-precision-for-ASE-atoms
Mar 25, 2023
Merged

avoid decreasing precision for ASE atoms#437
wanghan-iapcm merged 1 commit intodeepmodeling:develfrom
njzjz:avoid-decreasing-precision-for-ASE-atoms

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@njzjz njzjz commented Mar 24, 2023

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codecov bot commented Mar 24, 2023

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.01 🎉

Comparison is base (f8c5d4a) 82.51% compared to head (b2f4de4) 82.53%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel     #437      +/-   ##
==========================================
+ Coverage   82.51%   82.53%   +0.01%     
==========================================
  Files          68       68              
  Lines        6198     6205       +7     
==========================================
+ Hits         5114     5121       +7     
  Misses       1084     1084              
Impacted Files Coverage Δ
dpdata/bond_order_system.py 68.11% <ø> (ø)
dpdata/cli.py 0.00% <ø> (ø)
dpdata/cp2k/cell.py 82.14% <ø> (ø)
dpdata/cp2k/output.py 97.84% <ø> (ø)
dpdata/fhi_aims/output.py 90.37% <ø> (ø)
dpdata/plugins/3dmol.py 46.66% <ø> (ø)
dpdata/plugins/deepmd.py 67.47% <ø> (ø)
dpdata/siesta/aiMD_output.py 97.47% <ø> (ø)
dpdata/xyz/quip_gap_xyz.py 93.16% <ø> (ø)
dpdata/plugins/ase.py 78.78% <100.00%> (ø)
... and 1 more

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@wanghan-iapcm wanghan-iapcm merged commit c02097b into deepmodeling:devel Mar 25, 2023
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2 participants