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Improve the calculation of the weight of the Laplacian for some pathological cases.

Nicolas Tancogne-Dejean requested to merge fix_laplacian_weight into main

Description

Bugfix for the calculation of the weight of the Laplacian in some pathological case. This case correspond to the case of a tetragonal cell for which the basal plane is rotated around the z axis. At exactly 45 degrees the code was failing due to a singular matrix.

This is solved by always using an SVD instead of the usual solution to the linear problem Ax=b.

News snippet

Fix for the weight of the Laplacian in some pathological case.

Checklist

  • I have checked that my code follows the Octopus coding standards
  • I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean

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