hpc documentation - software:quantum-atk:quantum-atk

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====== QuantumATK ======

QuantumATK atomic-scale modeling software enables large-scale and thus more realistic material simulations, integrating multiple simulation methods, ranging from ab initio DFT to semi-empirical and classical force fields analysis, into an easy-to-use platform. QuantumATK accelerates semiconductor and materials R&D, and reduces time and costs by enabling more efficient workflows in the screening process of new materials across a broad range of high-tech industries.

<note important>Quantum ATK requires user(s) to purchase a license and setup a license server to actually use the software.</note>

To determine the available versions of Quantum ATK installed use

<code>
$ vpkg_versions quantum-atk
</code>

=====Details by cluster=====
  * [[software:quantum-atk:caviness | Caviness]]
  * [[software:quantum-atk:farber | Farber]]