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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

Changes to einsum #16

Closed obackhouse closed 1 year ago

obackhouse commented 1 year ago

Adds support for BLAS-like alpha, beta parameters to einsum along with out. Also adds contraction using TBLIS via pyscf-tblis.

codecov-commenter commented 1 year ago

Codecov Report

Patch coverage: 74.41% and project coverage change: -0.05 :warning:

Comparison is base (f877067) 99.54% compared to head (56e915e) 99.50%.

:exclamation: Current head 56e915e differs from pull request most recent head dbcd9f4. Consider uploading reports for the commit dbcd9f4 to get more accurate results

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Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #16 +/- ## ========================================== - Coverage 99.54% 99.50% -0.05% ========================================== Files 50 50 Lines 76007 76139 +132 Branches 656 611 -45 ========================================== + Hits 75663 75762 +99 - Misses 234 261 +27 - Partials 110 116 +6 ``` | [Impacted Files](https://app.codecov.io/gh/BoothGroup/ebcc/pull/16?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup) | Coverage Δ | | |---|---|---| | [ebcc/util.py](https://app.codecov.io/gh/BoothGroup/ebcc/pull/16?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BoothGroup#diff-ZWJjYy91dGlsLnB5) | `72.42% <74.41%> (+0.99%)` | :arrow_up: |

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