Tiny change in the AMS interface. The rdkit atomic properties group is also one that is produced by PLAMS (e.g. by the from_smiles method), but not used in the AMS driver. Since we won't add this one to the UnifiedChemicalSystem, we should not write it to the input for AMS.
Tiny change in the AMS interface. The
rdkitatomic properties group is also one that is produced by PLAMS (e.g. by thefrom_smilesmethod), but not used in the AMS driver. Since we won't add this one to the UnifiedChemicalSystem, we should not write it to the input for AMS.