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  • Dániel Varjas's avatar
    improve lll and voronoi algorithms in kwant.linalg · 691d8c85
    Dániel Varjas authored and Joseph Weston's avatar Joseph Weston committed
    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