Software

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The following software packages are available:

Matlab on Gibbs (will be available soon in other clusters)
Gaussian 03 on Avogadro, Gibbs
Gaussian 09 on Avogadro, Gibbs
Gaussian 16 on Gibbs
ADF on Avogadro, Gibbs, Dalton, Curie (GPU-accelerated)
LAMMPS on Curie (GPU-Accelerated)
Gromacs on Avogadro, Gibbs, Curie (GPU-accelerated)
DL_POLY
Amber on Avogadro, Gibbs
Comsol on Avogadro, Gibbs (soon will be available on Curie with GPU acceleration)
Quantum Espresso on Dalton
Gamess on Avogadro, Gibbs (soon will be available in all the clusters)
Orca on Avogadro, Gibbs