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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

Allow calculating the democratically parititoned energy when using MPI #166

Closed basilib closed 6 months ago

codecov[bot] commented 6 months ago

Codecov Report

Attention: Patch coverage is 0% with 25 lines in your changes are missing coverage. Please review.

Project coverage is 0.00%. Comparing base (7023754) to head (84a105e).

:exclamation: Current head 84a105e differs from pull request most recent head 4646a31. Consider uploading reports for the commit 4646a31 to get more accurate results

Files Patch % Lines
vayesta/core/qemb/rdm.py 0.00% 23 Missing :warning:
vayesta/core/qemb/qemb.py 0.00% 2 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #166 +/- ## ====================================== Coverage 0.00% 0.00% ====================================== Files 156 156 Lines 20797 20807 +10 ====================================== - Misses 20797 20807 +10 ```

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