Create "NetChargeDensity_ScreenFactor" function

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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Create "NetChargeDensity_ScreenFactor" function #143

Closed nasimanousheh closed 4 years ago

nasimanousheh commented 4 years ago

@jadhao and @kadupitiya

A function (NetChargeDensity_ScreenFactor) is added at the end of simulation (for both in-house and LAMMPS) to calculate net charge density & screen factor. The outputs are "screen_factor_profile.dat" and " netcharge_density_profile" in "data" folder.