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Resolving Issues #929 and #930 #932

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merged 61 commits into from
Feb 7, 2024
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rdguha1995
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@rdguha1995 rdguha1995 commented Feb 6, 2024

This PR solves the bugs raised in issues #929 and #930.

  1. 929 was resolved by parsing file.name. Earlier the full path was getting parsed
  2. 930 was resolved by querying for total_energy and total_enthalpy. There was a typo there previously and I was querying for enthalpy and entropy

@munrojm Let me know if I am missing anything from my end. The tests are not passing, but I think its a pydantic issue?

@Andrew-S-Rosen
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Thank you, @rdguha1995!!! 🙏

@munrojm munrojm added the release:patch Patch updates label Feb 6, 2024
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codecov-commenter commented Feb 6, 2024

Codecov Report

Attention: 3 lines in your changes are missing coverage. Please review.

Comparison is base (c54c6a9) 91.36% compared to head (c9cc045) 90.56%.

Files Patch % Lines
emmet-core/emmet/core/qchem/calculation.py 80.00% 2 Missing ⚠️
emmet-core/emmet/core/qc_tasks.py 75.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #932      +/-   ##
==========================================
- Coverage   91.36%   90.56%   -0.81%     
==========================================
  Files          78      139      +61     
  Lines        9853    13232    +3379     
==========================================
+ Hits         9002    11983    +2981     
- Misses        851     1249     +398     

☔ View full report in Codecov by Sentry.
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@munrojm munrojm merged commit 17b48ab into materialsproject:main Feb 7, 2024
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4 participants