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Bugfix: FFT for 2D periodic systems

Nicolas Tancogne-Dejean requested to merge refactor_force_local_potential into main

Description

The 3D-2D kernel was missing a cutoff. This was leading to imprecise forces. For hBN, this was leading to 1e-3 forces, whereas with the cutoff, the forces are 1e-12, as for the 3D-3D case.

Always compute the force from the local potential with real number.

News snippet

Minor optiminization and more precise forces for 2D periodic systems using FFT.

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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