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We need to add automated tests for the pymbar_example scripts.
The simplest first step is to run the main code and ensure that the output matches reference output (up to numerical precision). Further tests could be decided after that step.
The text was updated successfully, but these errors were encountered:
We need to add automated tests for the pymbar_example scripts.
The simplest first step is to run the main code and ensure that the output matches reference output (up to numerical precision). Further tests could be decided after that step.
The text was updated successfully, but these errors were encountered: