choderalab / pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)
http://pymbar.readthedocs.io
MIT License
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The fate of computeCovarianceOfSums #353

Open Lnaden opened 4 years ago

Lnaden commented 4 years ago

In #347 , I raised the issue that the computeCovarianceOfSums function isn't well tested and currently unused anywhere in the code base. So as not to slow down that PR, I'm opening this issue.

There are two options:

mrshirts commented 4 years ago

I will do a pass on this!