Creating a complex model for Lammps is a headache for someone like me! A python written script, createSimulationBox.py, is created to make the pre-processing easier. If you are familiar with Lammps well, it will be so handy; if you are newbie, don't worry, because it only has 6 commands. Moreover, the models(element, molecules like water) are coded in the program, and you are free to contribute your model into this simulationBox creator!

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2013-12-08