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BoothGroup / ebcc

Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.
https://boothgroup.github.io/ebcc/
MIT License
11 stars 2 forks source link

IP and EA-EOM-RCCSD #70

Closed obackhouse closed 1 month ago

obackhouse commented 1 month ago

Starting to work toward better support for EOM, this PR adds support for IP- and EA-EOM-RCCSD, previously only worked for U and G.

codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 99.67949% with 1 line in your changes missing coverage. Please review.

Project coverage is 98.45%. Comparing base (579b0ce) to head (503665d).

Files Patch % Lines
ebcc/eom/reom.py 66.66% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #70 +/- ## ========================================== + Coverage 98.39% 98.45% +0.05% ========================================== Files 88 88 Lines 98291 98600 +309 Branches 923 923 ========================================== + Hits 96717 97077 +360 + Misses 1393 1340 -53 - Partials 181 183 +2 ```

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