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costrouc / packages / pymatgen-lammps v0.4.4

A LAMMPS wrapper using pymatgen

Installers

  • noarch vv0.4.4

conda install

To install this package run one of the following:
conda install costrouc::pymatgen-lammps

Description

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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