codecov[bot]
commented
1 year ago Codecov Report
Patch coverage: 53.62% and project coverage change: +0.49% :tada:
Comparison is base (
a3023ff) 54.59% compared to head (9ee86f9) 55.09%.
Additional details and impacted files
```diff @@ Coverage Diff @@ ## master #25 +/- ## ========================================== + Coverage 54.59% 55.09% +0.49% ========================================== Files 7 7 Lines 1522 1552 +30 ========================================== + Hits 831 855 +24 - Misses 691 697 +6 ``` | [Files Changed](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/25?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu) | Coverage Δ | | |---|---|---| | [ensemble\_md/analysis/analyze\_traj.py](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/25?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu#diff-ZW5zZW1ibGVfbWQvYW5hbHlzaXMvYW5hbHl6ZV90cmFqLnB5) | `5.49% <9.09%> (+0.14%)` | :arrow_up: | | [ensemble\_md/ensemble\_EXE.py](https://app.codecov.io/gh/wehs7661/ensemble_md/pull/25?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Wei-Tse+Hsu#diff-ZW5zZW1ibGVfbWQvZW5zZW1ibGVfRVhFLnB5) | `74.13% <94.44%> (+0.70%)` | :arrow_up: |:umbrella: View full report in Codecov by Sentry.
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In this PR, we aim to implement the method for histogram correction. Note that we initially used the term "histogram correction" to refer to the correction made in alchemical weights based on their corresponding histogram counts, but now we are using this term to refer to the adjustment of the histogram counts upon weight combination. For more details about the method to be implemented, please visit this HackMD Note: https://hackmd.io/@WeiTseHsu/Hye1WqBA2
This PR will include, but is not limited to the following tasks:
histogram_correctiontoweight_correctionrun_EEXE.pyto reflect the changes in the codeUpdate the documentationWe probably need to consider taking downweights_errand only use simple means instead of weighted means.