Define charge on surface in LAMMPS

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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Define charge on surface in LAMMPS #120

Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

@jadhao @kadupitiya

In LAMMPS, the value of charge density on surface is fixed (around -0.01 C.m-2). In next step, we will ask user to choose the charge density between zero to specific value.

jadhao commented 5 years ago

@nasimanousheh I reviewed the PR and made the changes, accepting it. You can send other changes, some things need to be generalized.