Commit 691d8c85 authored by Dániel Varjas's avatar Dániel Varjas Committed by Joseph Weston

improve lll and voronoi algorithms in kwant.linalg

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.
parent b416e486
Pipeline #12574 passed with stages
in 16 minutes and 24 seconds