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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] Refactor Pure Optimisation Code #55

Closed SimonBoothroyd closed 4 years ago

SimonBoothroyd commented 4 years ago

Description

This PR moves the contents of the pure_optimisation/force_balance directory to a sub-directory to be consistent with the other studies.

Status