juDFT: DFT from FZ-Jülich

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juSpinX

Based on the juSpinX Fortran code, the modern spin simulation framework Symbol - externer LinkSpirit has been developed.

It's distinguishing features include:

  • Modern, efficient and modular C++11 code
  • CUDA backend for GPU parallelization
  • Python bindings, i.e. you may use Spirit from Python scripts
  • A graphical user interface is available for live user interaction and powerful visualisations

The scientific capabilities of Spirit include:

  • Arbitrary lattice geometries, open and closed boundaries
  • Complex anisotropic spin Hamiltonians including Zeeman, anisotropy and exchange terms, as well as Dzyaloshinskii-Moriya, biquadratic exchange and four spin interactions
  • Landau-Lifshitz-Gilbert dynamics simulations
  • Direct energy minimization
  • Nudged elastic band calculations for transition paths

Developers:

See also the group's website at Symbol - externer LinkjuSpin.de.

Forschungszentrum Jülich, D-52425 Jülich Institute for Advanced Simulation
Institute Quantum Theory of Materials Impressum
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Page last modified:
March 01, 2017