Error bar computation for LMP script

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 kadupitiya closed 3 years ago

kadupitiya commented 3 years ago

@jadhao: Please check and approve.

jadhao commented 3 years ago

@kadupitiya made 1 comment on the LMP input script. python fn to compute error bars looks good but did not check closely.