v0.4.1

Fixed missing EQCONTOUR and links to sisl-tutorials and other minor corrections in projects.toml support

v0.4.0

• Updated documentation
• Fixed installation scripts
• Updated and fixed tutorials
• Removed text rendering with latex
• Corrected pz orbitals description in sp2 method
• Extended NEGF module for systems of dimension > 1

v0.3.0

• Corrected term in Hamiltonian (use average site charge as energy reference rather than each site's local charge)
• Added possibility to set a maximum of iterations in the convergence process
• Cleanup of some example scripts
• Minor fixes

v0.2.0

• Generalized Coulomb repulsion parameter U. Now it can be either a float, or numpy.array. Therefore the on-site Coulomb repulsion does not need to be equal for all atoms. In extension it also allows multi-orbital Hamiltonians.
• Inclusion of inter-site Coulomb repulsion term (optional feature) through the parameter Uij.
• Reorganized plot classes in spectrum.py to have LDOS_from_eigenstate to plot the LDOS for a specific wavefunction and LDOS with a desired broadening distribution function, plus other minor changes in classes names.
• Modified write/read methods. Now the hash matching is optional and not set by default. Also now U can be written as a numpy.ndarray if this is the case
• Minor bug fixes, cleanups and improvements

v0.1.0

This release includes the following changes:

• Discontinued python2 support.
• Implemented the new and efficient mixing schemes from sisl. Default is now DIISMixer/PulayMixer instead of simple linear mixing.
• Enabled calculations with open boundary conditions
• Export of spin polarization to SIESTA fdf format (DM.InitSpin).
• Renamed variable dm for n (spin densities)
• Renamed Hubbard package for hubbard
• Improved documentation
• Minor bug fixes and improvements

v0.0.2

Initial release of Hubbard project.