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Application List

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Shared-memory System
Cluster Computing System
Applications

Compilers and Development tools

  • Intel oneAPI Compiler
  • GCC
  • Julia
  • Perl
  • Ruby
  • Python

Math Libraries and Mathematics System

  • Intel MPI
  • MPICH
  • OpenMPI
  • OpenBLAS
  • R
  • Mathematica
  • Octave

Chemical Applications

  • Amber
  • ADF
  • CNSsolve
  • GAMESS
  • Gaussian 16
  • GaussView
  • Gromacs
  • LAMMPS
  • Materials Studio
  • Discovery Studio
  • Materials Science Suite
  • Molpro
  • MOPAC7
  • MOPAC2016
  • NAMD
  • NWChem
  • octopus
  • Q-Chem
  • Quantum Espresso
  • TURBOMOLE
  • XDS
  • XPLOR-NIH
  • Yambo

Visualization Tools

  • OpenBabel
  • gnuplot
  • grace
  • molden
  • VMD
  • xcrysden

Chemical Information Databases

  • CSD