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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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Remove Dummy Wall #91

Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

@jadhao Left and right dummy walls are removed from energy and force calculations. The energy values are converged and comparable with energy values in example folder.

kadupitiya commented 5 years ago

@jadhao and @nasimanousheh: I will check this out.