Dr. Pierre Hirel



Atomsk is a libre, Open Source command-line program that aims at creating, manipulating, and converting atomic systems, for the purposes of ab initio calculations, classical potential simulations, or visualization. It supports the file formats used by many programs, including VASP, Quantum Espresso, LAMMPS, DL_POLY, IMD, Atomeye, or XCrySDen. Additionnaly, Atomsk can also perform some simple transformations of atomic positions, like the creation of supercells, rotation, deformation, inserting dislocations...

Atomsk official home page

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