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A LAMMPS wrapper using pymatgen

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Lammps Wrapper

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This is a package that I wrote to write input files for LAMMPS and analyze them because I was not happy with the one built inside of pymatgen. It has built in calculators for running many lammps calculations in parallel (many short small LAMMPS calculations).

Now that I have put some serious effort into my cython wrapper to LAMMPS. I would recommend it instead. You get significantly better performance and LAMMPS is now built into the python process. lammps-cython.

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pymatgen-lammps-0.5.1.tar.gz (19.5 kB view hashes)

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