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openforcefield / nistdataselection

Records the tools and decisions used to select NIST data for curation.
MIT License
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[Mixture] Missing Schema Exception Workaround #66

Closed SimonBoothroyd closed 4 years ago

SimonBoothroyd commented 4 years ago

Description

This PR introduces a workaround for a bug in evaluator, whereby an exception is raised if not all property types are not present in the options schema dictionary when at least one custom schema is provided.

Status