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VlachosGroup / pMuTT

Python Multiscale Thermochemistry Toolbox (pMuTT)
https://vlachosgroup.github.io/pMuTT/
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Robust Test Suite #118

Open jonlym opened 4 years ago

jonlym commented 4 years ago

The current test suite has several problems associated with it:

  1. The equations used to calculate tests are not thoroughly documented
  2. If equations are used in the test suite, they can be too complex and reduce the readability
  3. There is not 100% coverage of the code

To address these issues, we plan to create spreadsheets where the expected values of the tests can be more thoroughly tracked.

This spreadsheet has a complete list of classes and functions for the sake of keeping track.