Skip to content

add deepmd/hdf5 format#203

Merged
amcadmus merged 3 commits intodeepmodeling:develfrom
njzjz:hdf5
Oct 10, 2021
Merged

add deepmd/hdf5 format#203
amcadmus merged 3 commits intodeepmodeling:develfrom
njzjz:hdf5

Conversation

@njzjz
Copy link
Member

@njzjz njzjz commented Oct 8, 2021

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

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

Continue to review full report at Codecov.

Legend - Click here to learn more
Δ = absolute <relative> (impact), ø = not affected, ? = missing data
Powered by Codecov. Last update 3c595ca...eb14fd3. Read the comment docs.

@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
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants