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ReactionMechanismGenerator / AutoTST

AutoTST: A framework to perform automated transition state theory calculations
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Minor: Correct a typo in a warning message that causes an error #87

Closed alongd closed 3 years ago

alongd commented 3 years ago

A logging warning in data/base.py had a wrong argument name ("reactin"), which caused AutoTST to crush instead of warning the user.

alongd commented 3 years ago

@davidfarinajr, could you please take a look at this minor fix? Without it AutoTST crushes for me instead of printing a warning. Thanks!