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Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.

Project description

Relativistic magnetic interactions from non-orthogonal basis sets

More on the theoretical background can be seen on arXiv.

TODO

  • get automatic emax

  • threadpol processpool?

  • move tests to src

  • better readme

  • dependency on how we choose the perpendicular directions

  • Use ReadThe Docs addons

  • Document

  • majd egyszer warning ha szigetelő, de most siesta fermi

  • which magnetic moment should we write to magnopy atoms?

  • magnopy out lx ly lz

  • plot functions

  • add mesh and converge to batch

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