grogupy 0.0.1

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

Relativistic magnetic interactions from non-orthogonal basis sets

More on the theoretical background can be seen on arXiv.

TODO

get automatic emax threadpol processpool? check if file exists before io lazy viz placeholders load tests could check equality

Testing

• much more unit tests...
• dependency on how we choose the perpendicular directions

Developing

• Use ReadThe Docs addons

• Document changelog

• Document visualizations

• Document tutorials

• document quickstart visualize

• document quickstart convergence

• document API

• majd egyszer warning ha szigetelő, de most siesta fermi

• which magnetic moment should we write to magnopy atoms?

• magnopy out lx ly lz

• Upload to pypi

• Upload to conda

• plot functions

• add mesh and converge to batch