XC40 System Software

 

  • Boost: a collection of modern, peer-reviewed C++ libraries.
  • Conda: a popular package and virtual environment management framework that is used for managing python packages.
  • LAMMPS: a general-purpose molecular dynamics software package for massively parallel computers.
  • Qbox: a C++/MPI scalable parallel implementation of first-principles molecular dynamics based on the plane-wave, pseudopotential formalism.
  • Quantum Espresso: a suite of codes for electronic structure calculations and materials research.
  • ParaView: an open-source, multi-platform data analysis and visualization application.
  • Singularity: a container solution for application science workloads.
  • WEST: a Fortran/MPI scalable parallel implementation of large-scale electronic structure calculations within many-body perturbation theory.