RDS: fix issue when stoich has only one molecule #582
Merged
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Description
This PR fixes an issue with
RDS.get_molecules
that arises when requesting a string subset corresponding to a record with only one molecule in a particular stoichiometry -- this issue can arise for conformer datasets. Resovles MolSSI/QCArchiveWebapps#59.Changelog description
Fixes an issue with
RDS.get_molecules
that could arise for conformer datasets.Status