define bigger and smaller ion salt

softmaterialslab / nanoconfinement-md

This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.

Apache License 2.0

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Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

@jadhao and @kadupitiya

I defined the bigger_ion_diameter and smaller_ion_diameter according to their sizes.

jadhao commented 5 years ago

@nasimanousheh approving this latest PR. Please add LAMMPS run information on README. I think the lammps script has some errors.