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BoothGroup / Vayesta

A Python package for wave function-based quantum embedding
Apache License 2.0
32 stars 7 forks source link

Testing with latest pyscf #156

Closed basilib closed 6 months ago

basilib commented 8 months ago

Some changes to maintain compatibility with the latest pyscf.

codecov[bot] commented 6 months ago

Codecov Report

Attention: Patch coverage is 0% with 9 lines in your changes are missing coverage. Please review.

Project coverage is 0.00%. Comparing base (cddd8d0) to head (04c3ab8). Report is 116 commits behind head on master.

Files Patch % Lines
vayesta/dmet/__init__.py 0.00% 2 Missing :warning:
vayesta/edmet/__init__.py 0.00% 2 Missing :warning:
vayesta/ewf/__init__.py 0.00% 2 Missing :warning:
vayesta/lattmod/latt.py 0.00% 2 Missing :warning:
vayesta/core/qemb/qemb.py 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #156 +/- ## ========================================= - Coverage 0.41% 0.00% -0.42% ========================================= Files 152 156 +4 Lines 20195 20797 +602 Branches 3353 0 -3353 ========================================= - Hits 83 0 -83 - Misses 20078 20797 +719 + Partials 34 0 -34 ```

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ghb24 commented 6 months ago

Looks good to me - merge when ready.