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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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Lint code #8

Closed madreher closed 1 month ago

madreher commented 1 month ago

Make a formatting pass with flake8, available in VS. See https://code.visualstudio.com/docs/python/linting