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A collection of tools meant to make various tasks easier when doing computational materials science focused on LAMMPS

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wapisani/CompMatSciTools

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CompMatSciTools

A collection of tools meant to make various tasks easier when performing computational materials science research. The open-source molecular dynamics (MD) code LAMMPS is my MD code of choice. Most of my research thus far has been in predicting thermo-mechanical properties of polymer composites, and this collection of tools reflects that focus.

Generate topology from a list of bonds

This Julia tool can be found in Get_Topology_From_Bonds.

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A collection of tools meant to make various tasks easier when doing computational materials science focused on LAMMPS

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