uw-ipd / tmol

TMol
Apache License 2.0
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Activate the missing `ref` energy in the beta2016_score_function #302

Closed aleaverfay closed 2 months ago

aleaverfay commented 2 months ago

The ref term was overlooked in the function that returns tmol's version of the beta2016 score term. Oops! Let's go ahead an activate it now.

codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 94.71%. Comparing base (2cc46cd) to head (1f5bc24). Report is 1 commits behind head on master.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #302 +/- ## ======================================= Coverage 94.71% 94.71% ======================================= Files 299 299 Lines 20415 20416 +1 ======================================= + Hits 19337 19338 +1 Misses 1078 1078 ``` | [Flag](https://app.codecov.io/gh/uw-ipd/tmol/pull/302/flags?src=pr&el=flags&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | Coverage Δ | | |---|---|---| | [_shrug_Testing_CPU](https://app.codecov.io/gh/uw-ipd/tmol/pull/302/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `89.91% <100.00%> (+<0.01%)` | :arrow_up: | | [_shrug_Testing_CPU_debug_w_o_jit](https://app.codecov.io/gh/uw-ipd/tmol/pull/302/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.17% <100.00%> (+<0.01%)` | :arrow_up: | | [_shrug_Testing_CUDA](https://app.codecov.io/gh/uw-ipd/tmol/pull/302/flags?src=pr&el=flag&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd) | `92.45% <100.00%> (+<0.01%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=uw-ipd#carryforward-flags-in-the-pull-request-comment) to find out more.

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