• Dániel Varjas's avatar
    improve lll and voronoi algorithms in kwant.linalg · 691d8c85
    Dániel Varjas authored
    Improve the logic of 'cvp', now it provably works in all cases.
    Add 'reduced' option to 'linalg.lll.voronoi', this eliminates
    superfluous Voronoi vectors that do not have a corresponding face
    of the Voronoi cell, or this face would be smaller than 'rtol'.
    
    Simplify 'lattice.Polyatomic.neighbors' by providing the option
    to group equidistant vectors 'group_by_length' in 'linalg.lll.cvp'.
    
    See !165 for details.
    
    Closes #163.
    691d8c85
lll.py 11.6 KB