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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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Accelerate #21

Closed kadupitiya closed 6 years ago

kadupitiya commented 6 years ago

Changed the mdforces class to support MPI discretization

kadupitiya commented 6 years ago

@jadhao I fixed the bug.

kadupitiya commented 6 years ago

@jadhao please look at second commit for the bug fix.

kadupitiya commented 6 years ago

@jadhao okay. Please run the program once. We can change the variable names to make sense. Thanks