Project 'qt/kwant-scf' was moved to 'qt/meanfi'. Please update any links and bookmarks that may still have the old path.
Merge branch 'interface-refactoring' into 'main'
create solvers and interface modules See merge request qt/kwant-scf!3
No related branches found
No related tags found
Showing
- codes/hf.py 53 additions, 99 deletionscodes/hf.py
- codes/interface.py 66 additions, 0 deletionscodes/interface.py
- codes/kwant_examples.py 1 addition, 1 deletioncodes/kwant_examples.py
- codes/model.py 86 additions, 0 deletionscodes/model.py
- codes/solvers.py 106 additions, 0 deletionscodes/solvers.py
- codes/utils.py 130 additions, 45 deletionscodes/utils.py
- examples/1d_hubbard.ipynb 56 additions, 56 deletionsexamples/1d_hubbard.ipynb
- examples/1d_hubbard_totalenergy.ipynb 355 additions, 0 deletionsexamples/1d_hubbard_totalenergy.ipynb
- examples/data/1d_hubbard_example.nc 0 additions, 0 deletionsexamples/data/1d_hubbard_example.nc
- examples/data/diatomic_molecule_example.nc 0 additions, 0 deletionsexamples/data/diatomic_molecule_example.nc
- examples/data/graphene_example.nc 0 additions, 0 deletionsexamples/data/graphene_example.nc
- examples/data/kspace_potential.nc 0 additions, 0 deletionsexamples/data/kspace_potential.nc
- examples/diatomic_molecule.ipynb 26 additions, 25 deletionsexamples/diatomic_molecule.ipynb
- examples/graphene_extended_hubbard.ipynb 81 additions, 40 deletionsexamples/graphene_extended_hubbard.ipynb
- examples/kspace_potential.ipynb 242 additions, 0 deletionsexamples/kspace_potential.ipynb
- examples/tEnergyTest.ipynb 161 additions, 0 deletionsexamples/tEnergyTest.ipynb
Loading
Please register or sign in to comment