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Develop #301

Merged
merged 312 commits into from
Aug 19, 2023
Merged

Develop #301

merged 312 commits into from
Aug 19, 2023

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knc6
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@knc6 knc6 commented Aug 19, 2023

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knc6 and others added 30 commits July 12, 2021 16:22
Docs update.
7709cdf
@knc6
Merge branch 'master' into develop
ab105fc
@knc6
Add thcikness to surface builder.
83873dd
@knc6
Surface builder update, Chemical only magpie descriptors added, pdb_c…
dea194a 
…ore dataset added, zeopp tempfile bugfix.
@knc6
Merge branch 'master' into develop
1883178
@knc6
Typo fix.
753df8c
@knc6
Add names to chem descs.
018d6de
@knc6
Lessen hermsolver pytest.
725969c
@knc6
Reduced pytest.
78f56dc
@knc6
Reduced pytest.
50b0bad
@knc6
Reduced pytest.
b37ad66
@knc6
Reduced pytest.
4bc6451
@knc6
Reduced pytest.
bd1c657
@knc6
No DFT3D
b3c0fd4
@knc6
Exclude dft_3d dataset for memory issue.
f98d74c
@knc6
Update figshare test.
75840a3
@knc6
Update figshare test.
0a78d00
@knc6
Exclude db from coverage.
443f8df
@knc6
Exclude db from coverage.
5f9ba7c
@knc6
Add magpie.json.
c55018b
@knc6
Merge branch 'master' into develop
0b063fd
@knc6
Add magpie.json.
7523c27
@knc6
Wien2k bands bug fix.
ca76cd2
@knc6
Wien2k bands bug fix.
0b72e9f
@knc6
Update JARVIS-FF,Elastictensor,LAMMPS parse folder, VASP bandstructur…
2bf7159 
…e plot code.
@knc6
JFF update.
a6d39f2
@knc6
Add JQE_TB3 and hMOF dataset.
424a7c3
@knc6
Update LAMMPS module.
5c38354
@knc6
Update LAMMPS module.
b2aae72
@knc6
Fix elastic tensor module.
6ab3e16
knc6 added 26 commits August 18, 2023 12:37
@knc6
Fix requirements.
898cd93
@knc6
Fix requirements.
532cb38
@knc6
Fix requirements.
0ed4183
@knc6
Use poscar write as string.
5a74ee3
@knc6
Use poscar write as string.
95cf5f7
@knc6
Use poscar write as string.
245466c
@knc6
Update action_build.yml
ab6404a
@knc6
Merge branch 'develop' of https://github.com/usnistgov/jarvis into de…
5487484 
…velop
@knc6
Use poscar write as string.
e170728
@knc6
Use poscar write as string.
8817fea
@knc6
Update action_build.yml
e994185
@knc6
Use poscar write as string.
f4f487e
@knc6
Merge branch 'develop' of https://github.com/usnistgov/jarvis into de…
7ce0ca5 
…velop
@knc6
Use poscar write as string.
5df0915
@knc6
Delete NISTtheDocs2Death.yml
3f28136
@knc6
Delete action_lint.yml
caff38a
@knc6
Use poscar write as string.
c796a63
@knc6
Merge branch 'develop' of https://github.com/usnistgov/jarvis into de…
a48b14d 
…velop
@knc6
Fix phonopy.
2c43595
@knc6
Update dev-requirements.txt
f74ee28
@knc6
Update databases.
327b834
@knc6
Merge branch 'develop' of https://github.com/usnistgov/jarvis into de…
e652525 
…velop
@knc6
Add eigs.
a331b28
@knc6
Add eigs.
80e4807
@knc6
Add eigs.
97eaf5f
@knc6
Fix STM test.
73439f0
@codecov-commenter
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codecov-commenter commented Aug 19, 2023 •
edited
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Codecov Report

Patch coverage: 96.87% and project coverage change: -2.18% ⚠️

Comparison is base (97cdbe6) 89.06% compared to head (55c3dac) 86.88%.

❗ Your organization is not using the GitHub App Integration. As a result you may experience degraded service beginning May 15th. Please install the Github App Integration for your organization. Read more.

Additional details and impacted files 
@@            Coverage Diff             @@
##           master     #301      +/-   ##
==========================================
- Coverage   89.06%   86.88%   -2.18%     
==========================================
  Files          61       62       +1     
  Lines       10569    10579      +10     
==========================================
- Hits         9413     9192     -221     
- Misses       1156     1387     +231
Files Changed Coverage Δ
jarvis/io/vasp/inputs.py 95.10% <94.73%> (-0.03%) ⬇️
jarvis/core/atoms.py 86.01% <100.00%> (-1.96%) ⬇️
jarvis/io/phonopy/outputs.py 91.20% <100.00%> (ø)
jarvis/io/vasp/outputs.py 88.61% <100.00%> (-2.13%) ⬇️
jarvis/io/wien2k/outputs.py 100.00% <100.00%> (ø)

... and 8 files with indirect coverage changes

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@knc6 knc6 merged commit f5c01e0 into master Aug 19, 2023
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6 participants
@knc6 @codecov-commenter @wines1 @SauravMaheshkar @janosh @RamyaGuru