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pyscal / atomRDF

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
https://atomrdf.pyscal.org
MIT License
10 stars 2 forks source link

Add qe #154

Closed srmnitc closed 4 months ago

codecov[bot] commented 4 months ago

Codecov Report

Attention: Patch coverage is 91.48936% with 16 lines in your changes missing coverage. Please review.

Project coverage is 66.49%. Comparing base (abfe5ce) to head (a3482ff).

Files Patch % Lines
atomrdf/io.py 88.09% 10 Missing :warning:
atomrdf/workflow/qe/qe.py 93.81% 6 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #154 +/- ## ========================================== + Coverage 60.73% 66.49% +5.75% ========================================== Files 23 25 +2 Lines 3339 3510 +171 ========================================== + Hits 2028 2334 +306 + Misses 1311 1176 -135 ```

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