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@ -3,16 +3,16 @@ More on the theoretical background can be seen on [arXiv](https://arxiv.org/abs/
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# TODO
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## Testing
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- Run tests on different magnetic materials and compare it to Grogu Matlab
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- Run tests on different magnetic materials and compare it to Grogu Matlab -->
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- Change order in:
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* magnetic entities
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* pairs
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- Check behavior by distance to test symmetry and Green function phase
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- Check behavior by orbital indexing
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* magnetic entities -->
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* pairs -->
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- Compair single pair run to multiple pair run --> it is the same
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- Check behavior by distance to test symmetry and Green function phase -->
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- Check behavior by orbital indexing -->
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## Developing
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- Add documentation to useful functions
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- Parallel or serial energy integral to reduce memory overhead
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- Add documentation to `useful` functions
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- Check the symmetrization of the Hamiltonian and overlap matrix to make them hermitian
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- Check if exchange field has scalar part
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- Output dictionary and rewrite output printing with the information
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@ -37,7 +37,7 @@ python -m twine upload --repository testpypi dist/*
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# Usage
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## For end users
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Download and install from [PYPI](https://test.pypi.org/project/grogu-magn/) test repository.
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Download and install from [PYPI](https://test.pypi.org/project/grogu-magn/) test repository. Be aware that this is not up to date yet!!!
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```
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python3 -m pip install --index-url https://test.pypi.org/simple/ grogu_magn
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```
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