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.
Add the module:
module add atomsk-0.9.10