Releases: MolSSI/QCElemental
Releases · MolSSI/QCElemental
v0.2.3
Update models to be compatible with QCFractal and MongoDB objects in the QCArchive Ecosystem.
Also enhances the Molecule
model's json
function to accept as_dict=bool
keyword, permitting a return as a dictionary of Pydantic-serialized python (primitive) objects, instead of a json-compatible string
v0.2.2
Ensure json encoders are passed through qcelemental Pydantic does not carry the json_encoders up through nested BaseModels, this becomes an issue on the QCEngine side when casting the Pydantic objects to JSON objects. This also adds tests to the ensure serialization is consistent