friendzone.nwx2ase.chemical_system_conversions

Functions

chemical_system2atoms(chem_sys)

Converts a chemist.ChemicalSystem object into an ASE Atoms object.

Module Contents

friendzone.nwx2ase.chemical_system_conversions.chemical_system2atoms(chem_sys): Converts a chemist.ChemicalSystem object into an ASE Atoms object.