diff --git a/README.md b/README.md index c7352df..186d5bc 100644 --- a/README.md +++ b/README.md @@ -3,13 +3,14 @@ More on the theoretical background can be seen on [arXiv](https://arxiv.org/abs/ # TODO ## Testing +- Calculate total charge for all Green's function --> - Run tests on different magnetic materials and compare it to Grogu Matlab --> ran on Jij_for_Marci_6p45ang, but I could not compare data - Change order in: * magnetic entities --> * pairs --> - Compair single pair run to multiple pair run --> it is the same - Check behavior by distance to test symmetry and Green function phase --> it is symmetric and decays by distance in an AFM way -- Check behavior by orbital indexing --> +- Check behavior by orbital indexing --> there is no unwanted mixing and otherwise consistent with symmetry and distance ## Developing - Add documentation to `useful` functions