Atomsk

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Description

Atomsk is an Open Source command-line program dedicated to the creation, manipulation, and conversion of atomic systems. It supports the file formats used by many programs, including:

  • Visualization softwares: Atomeye, OVITO, VESTA, XCrySDen;
  • Ab initio calculation softwares: Quantum Espresso, VASP, SIESTA;
  • Classical force-field simulation softwares: DL_POLY, GULP, IMD, LAMMPS, XMD;
  • TEM image simulation softwares: Dr Probe, JEMS, QSTEM.

Atomsk can be used to transform and shape atomic systems: duplicate, rotate, deform, insert dislocations, merge several systems, create bicrystals and polycrystals, etc.

Availability

Available modules:

atomsk-0.9.10

Licence

GPL v3

Use

Add the module:

module add atomsk-0.9.10

Program manager

meta@cesnet.cz

Homepage

http://atomsk.univ-lille1.fr/index.php