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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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change the bin width #98

Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

In NanoconfinementMd.cpp, the size of bin width is reduced to half (0.05 in reduced unit), since unitlength = saltion_diameter_in. This makes the results consistent with results of original code (unitlength = 0.5 * saltion_diameter_in).