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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Security on ID name #5

Closed madreher closed 1 month ago

madreher commented 1 month ago

Add a regex check on all the name of objects used as ID in Lammps. An ID can only be alphanumerical and underscore with a first letter being a letter. Source: https://docs.lammps.org/fix.html