|
|
|
|
@ -13,13 +13,9 @@ More on the theoretical background can be seen on [arXiv](https://arxiv.org/abs/
|
|
|
|
|
### Developing
|
|
|
|
|
|
|
|
|
|
- Use ReadThe Docs [addons](https://docs.readthedocs.io/en/stable/addons.html)
|
|
|
|
|
- Check the symmetrization of the Hamiltonian and overlap matrix to make them hermitian
|
|
|
|
|
- Check if exchange field has scalar part
|
|
|
|
|
- Add more tests!!
|
|
|
|
|
- logging
|
|
|
|
|
- orbital indexing must be checked and bad values should raise an error
|
|
|
|
|
- check on the validity of magnetic entities input
|
|
|
|
|
- log `$SLURM_JOB_ID` with `os.environ`
|
|
|
|
|
|
|
|
|
|
## Building wheel
|
|
|
|
|
|
|
|
|
|
|
