fix for molecule refactor

NWChemEx / SimDE

Software development kit for the NWChemEx Community.

https://nwchemex.github.io/SimDE/

Apache License 2.0

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Closed ryanmrichard closed 1 year ago

ryanmrichard commented 1 year ago

PR Type

Brief Description

Once https://github.com/NWChemEx-Project/Chemist/pull/341 is merged it will break this repo. This PR patches this repo so that it works.

Not In Scope

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ryanmrichard commented 1 year ago