Change the Location of Walls

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 Location of Walls #93

Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

@jadhao I changed the location of walls in movie file. I checked the results of energy for modified and the original codes. The are the same.

nasimanousheh commented 5 years ago

@jadhao In LAMMPS, I use a separate code to generate all ions in one data.xyz (left plane, right plane and salt ions, all in one file). I can put the code in IUBox. This change just affects the movie view and it does not change the LAMMPS results.

jadhao commented 5 years ago

@nasimanousheh ok, I am approving this then. I think we should generate LAMMPS input data file from this github C++ repo to have things be in sync -- we can talk more about this later. We will moving out of IUBox in general in future, so that is not a good place to put code.