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.
Add a Pydantic model to be able to support json verification when loading from json. This will be necessary when making the library available via a RestAPI.
The model should match the json produced by the current objects. However, the model will be separated from the classes doing the work. This is to keep separated the functional objects from the model definition which might differ in what they need to store in the future.
Add a Pydantic model to be able to support json verification when loading from json. This will be necessary when making the library available via a RestAPI.
The model should match the json produced by the current objects. However, the model will be separated from the classes doing the work. This is to keep separated the functional objects from the model definition which might differ in what they need to store in the future.