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Published 20 hours ago • verified publisher icon openforcefield

Rename specification columns

Open dgasmith opened this issue 6 years ago • 1 comments

As discussed in OpenFF Slack, we should rename all specification columns to the underlying level of theory B3LYP-D3(BJ)/DZVP. To transition we will first duplicate the default specification and then remove it at a later date.

dgasmith avatar Sep 18 '19 13:09 dgasmith