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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

Use `Namespace` for EOM amplitudes #68

Closed obackhouse closed 1 month ago

obackhouse commented 1 month ago

EOM amplitudes were hardcoded to use a tuple of (r1, r2). This PR generalises the implementation w.r.t ansatzes.

codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 80.12048% with 33 lines in your changes missing coverage. Please review.

Project coverage is 98.39%. Comparing base (3ae4415) to head (02ce987).

Files Patch % Lines
ebcc/eom/reom.py 0.00% 18 Missing :warning:
ebcc/cc/rebcc.py 31.25% 11 Missing :warning:
ebcc/eom/ueom.py 92.50% 3 Missing :warning:
ebcc/eom/geom.py 94.44% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #68 +/- ## ======================================= Coverage 98.39% 98.39% ======================================= Files 88 88 Lines 98309 98291 -18 Branches 903 923 +20 ======================================= - Hits 96733 96717 -16 + Misses 1395 1393 -2 Partials 181 181 ```

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