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Working from home
  • Los Alamos National Laboratory
  • Los Alamos, New Mexico

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  1. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

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    the first test input file, pure oxygen diffusing into pure iron metal

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