Bug fix in unitcell #79
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test fixes fix tests test fiix
Codecov Report
@@ Coverage Diff @@
## master #79 +/- ##
==========================================
- Coverage 62.35% 61.06% -1.30%
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Files 15 15
Lines 2351 2219 -132
==========================================
- Hits 1466 1355 -111
+ Misses 885 864 -21
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There was a bad bug in
unitcell. Thish = LatticePresets.honeycomb() |> hamiltonian(hopping(1, range = 1/√3)) |> unitcell((1,-1), region = r -> abs(r[2])<10)failed to produce a graphene nanoribbon, as it included only one vertical row of sites in a unitcell, not an armchair chain. The reason was an ugly bug in theunitcellcore functionpinvmultiplethat computes an integer matrix that is an integer multiple of the supercell pseudoinverse. That multiple was computed as the determinant of the R factor in the QR decomposition of the supercell matrixs, but that is only actually valid if the latter is square and invertible. The (or at least one) correct multiple isdet(s's).Hat tip to @baggepinnen in discourse