preprocessing set up for lammps

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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preprocessing set up for lammps #99

Closed nasimanousheh closed 5 years ago

nasimanousheh commented 5 years ago

@jadhao and @kadupitiya I changed "INTERFACE::generate_lammps_datafile" function in interface.cpp to generate correct input data for lammps (preprocessing set up).