grogupy

Getting started

  • Introduction
  • Quickstart
  • Citing grogupy

User Guide

  • Tutorials

Advanced usage

  • src
  • grogupy package
    • Submodules
      • grogupy.core module
      • grogupy.grogu module
      • grogupy.io module
      • grogupy.magnetism module
      • grogupy.utilities module
    • Module contents
  • Environment variables

Development

  • Contributing to grogupy

Extras

  • Changelog
  • Bibliography
grogupy
  • src
  • grogupy package
  • View page source

grogupy package

Submodules

  • grogupy.core module
    • build_hh_ss()
    • calc_Vu()
    • onsite_projection()
    • parallel_Gk()
    • remove_clutter_for_save()
    • sequential_GK()
    • setup_pairs_and_magnetic_entities()
  • grogupy.grogu module
    • main()
  • grogupy.io module
    • load_pickle()
    • print_atoms_and_pairs()
    • print_job_description()
    • print_parameters()
    • print_runtime_information()
    • save_pickle()
  • grogupy.magnetism module
    • blow_up_orbindx()
    • calculate_anisotropy_tensor()
    • calculate_exchange_tensor()
    • parse_magnetic_entity()
    • spin_tracer()
  • grogupy.utilities module
    • RotM()
    • RotMa2b()
    • commutator()
    • crossM()
    • hsk()
    • int_de_ke()
    • make_contour()
    • make_kset()
    • read_siesta_emin()
    • tau_u()

Module contents

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