Tutorials

Welcome to the grogupy tutorials! Here, you will find a series of step-by-step guides designed to help you get started with grogupy and explore its advanced features.

• Input formats
  • Input parameters
• Output formats
  • Spin Hamiltonian file
  • Comment section
  • Hamiltonian convention
  • Cell
  • Magnetic sites
  • Intra-atomic anisotropy
  • Exchange interaction
• Setup magnetic entites and pairs
  • Simple systems, with one magnetic element
  • Complicated systems, with molecule like magnetic entities
  • Defining magnetic entities and pairs by hand
• Convergence with high throughput
• Command line usage
• Memory management
  • Overflow in RAM
  • Overflow in GPU memory
• Fixing problems with GPU