Relativistic magnetic interactions from non-orthogonal basis sets

TODO

• Definition of magnetic entities:
  • Through simple sequence o forbitals in the unit cell
  • Through atom specification
  • Through atom and orbital specification
• Separation of TR and TRB components of the Hamiltonian, Identification of the exchange field.
• Definition of commutator expressions, old projection matrix elements
• Efficient calculation of Green's functions
• Calculation of energy and momentum resolved derivatives
• Parallel BZ and serial energy integral

Building wheel

See detailed documentation on PYPI.

Use the following commands for a quick setup:

• Build wheel

python -m build

Build wheel:

Push to pypi(testpypi for beginners): python3 -m twine upload --repository testpypi dist/*

Ehhez kellenek tokenek: You will be prompted for a username and password. For the username, use token. For the password, use the token value, including the pypi- prefix.

Végfelhasználóknak (egyelőre testpypi): python3 -m pip install --index-url https://test.pypi.org/simple/ example-package-YOUR-USERNAME-HERE