Data associated to the article "Polarizable force fields for the structural and thermophysical properties of molten actinide chlorides"

Contains simulation input files of the article: Polarizable force fields for the structural and thermophysical properties of molten actinide chlorides(Giovanni Pireddu, Agustin Salcedo, Hugo Sauzet, Sylvie Delpech, David Lambertin, Timothée Kooyman) Journal of Nuclear Materials, 2025DOI: https://doi.org/10.1016/j.jnucmat.2025.155822 The folder EXAMPLE_INPUT_FILES contains typical MetalWalls (repository) input files used to perform the molecular simulations. All input files are set for NVT simulations. NPT simulations can be performed by uncommenting the barostat section in the runtime.inpt files.