Metadata-Version: 2.4
Name: grogupy
Version: 0.0.6
Summary: Python package calculating relativistic magnetic interactions for the generalised Heisenberg model.
Project-URL: Homepage, https://danielpozsar.web.elte.hu/grogu/
Project-URL: Documentation, https://danielpozsar.web.elte.hu/grogu/
Project-URL: Repository, https://github.com/danielpozsar/grogu
Project-URL: Issues, https://github.com/danielpozsar/grogu/issues
Author-email: Laszlo Oroszlany <laszlo.oroszlany@ttk.elte.hu>, Daniel Tibor Pozsar <danielpozsar@student.elte.hu>
License-Expression: MIT
License-File: LICENSE
Classifier: Development Status :: 3 - Alpha
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.9
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.9
Requires-Dist: mpi4py
Requires-Dist: netcdf4
Requires-Dist: numpy
Requires-Dist: openmpi
Requires-Dist: scipy
Requires-Dist: sisl
Provides-Extra: gpu
Requires-Dist: cupy-cuda12x; extra == 'gpu'
Provides-Extra: viz
Requires-Dist: nbconvert; extra == 'viz'
Requires-Dist: plotly; extra == 'viz'
Description-Content-Type: text/markdown

# Relativistic magnetic interactions from non-orthogonal basis sets

More on the theoretical background can be seen on [arXiv](https://arxiv.org/abs/2309.02558).

## TODO

- get automatic emax
- move tests to src
- better readme
- dependency on how we choose the perpendicular directions

- Use ReadThe Docs [addons](https://docs.readthedocs.io/en/stable/addons.html)
- Document

- warning for insulators about the fermi level positioning
- magnopy out lx ly lz?
- add mesh and converge to batch
