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madreher / LammpsInputBuilder

LammpsInputBuilder (or LIB) is a Python library designed to generate Lammps inputs from a molecular model, a forcefield, and a high-level definition of a simulation workflow.
MIT License
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is_model_load not present in the pydantic model of the MolecularTypedSystem #29

Open madreher opened 4 hours ago

madreher commented 4 hours ago

When generating a dictionnary from a Pydantic model, the field is_model_loaded is not written in the dictionnary. Consequently, the molecular information is not loaded properly when transitionning from the pydantic model of a WorkflowBuilder to the LIB WorkflowBuilder.

madreher commented 4 hours ago

Useful link for constant values in Pydantic: https://github.com/pydantic/pydantic/issues/1927