pymatgen

How Can Pymatgen Be Integrated With Other Tools in Nanotechnology?

Pymatgen can be easily integrated with other computational tools and frameworks commonly used in nanotechnology research. For example, it works well with VASP (Vienna Ab-initio Simulation Package) for performing DFT calculations, and can be used alongside LAMMPS for molecular dynamics simulations. This interoperability makes it a versatile tool in the nanotechnology researcher's toolkit.

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