BUG: Raise an exception if duplicate keys are present in the ARMC .yaml

nlesc-nano / auto-FOX

A library for analyzing potential energy surfaces (PESs) and using the resulting PES descriptors for constructing forcefield parameters.

GNU Lesser General Public License v3.0

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Closed BvB93 closed 3 years ago

BvB93 commented 3 years ago

pyyaml allows for duplicate keys, but we most certainly don't. This should raise an exception in the future.