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add deepmd/hdf5 format #203

Merged
merged 3 commits into from
Oct 10, 2021
Merged

add deepmd/hdf5 format #203

merged 3 commits into from
Oct 10, 2021

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@njzjz njzjz commented Oct 8, 2021

@njzjz njzjz marked this pull request as draft October 8, 2021 01:54
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codecov-commenter commented Oct 8, 2021

Codecov Report

Merging #203 (eb14fd3) into devel (3c595ca) will increase coverage by 0.17%.
The diff coverage is 84.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #203      +/-   ##
==========================================
+ Coverage   81.54%   81.71%   +0.17%     
==========================================
  Files          54       56       +2     
  Lines        4639     4819     +180     
==========================================
+ Hits         3783     3938     +155     
- Misses        856      881      +25     
Impacted Files Coverage Δ
dpdata/deepmd/hdf5.py 82.66% <82.66%> (ø)
dpdata/plugins/deepmd.py 93.87% <88.00%> (-6.13%) ⬇️
dpdata/qe/traj.py 85.21% <0.00%> (-0.11%) ⬇️
dpdata/pwmat/atomconfig.py 97.59% <0.00%> (-0.03%) ⬇️
dpdata/gromacs/gro.py 98.76% <0.00%> (-0.02%) ⬇️
dpdata/gaussian/log.py 100.00% <0.00%> (ø)
dpdata/pwmat/movement.py 77.77% <0.00%> (ø)
dpdata/unit.py 88.15% <0.00%> (ø)
dpdata/cp2k/output.py 97.70% <0.00%> (+<0.01%) ⬆️
dpdata/amber/sqm.py 98.82% <0.00%> (+0.04%) ⬆️
... and 2 more

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@njzjz njzjz marked this pull request as ready for review October 8, 2021 02:05
@njzjz njzjz requested a review from amcadmus October 8, 2021 02:08
@amcadmus amcadmus merged commit b58aa63 into deepmodeling:devel Oct 10, 2021
@njzjz njzjz deleted the hdf5 branch October 10, 2021 23:42
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3 participants