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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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Did few changes to support OpenMP #8

Closed kadupitiya closed 6 years ago

kadupitiya commented 6 years ago

These changes will make the program works with openMP perfectly. Earlier version was not utilizing the threads exported by the environment. @jadhao, please look in to this. The version @nasimanousheh uses doesn't utilize the threads and it runs as a sequential application.