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Simple molecular dynamics simulator using Lennard-Jones potential

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Lennard-Jones Molecular-Dynamics Simulator

Simple molecular dynamics simulator using Lennard-Jones potential. Takes XYZ files as input and spits out XYZ files for use with VMD.

To build, run make build To run on a file with the name "filename".xyz, run make run F=filename To simulate with VMD, after installing VMD, run make vmd F=filename

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Simple molecular dynamics simulator using Lennard-Jones potential

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  • C 96.5%
  • Makefile 3.5%