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Fix a bug in the calculation of the cutoff for the 3D-0D FFT in non-cubic cells.

Nicolas Tancogne-Dejean requested to merge fix_coulomb_integrals_ffts into develop

Description

Fix a bug in the calculation of the cutoff for the 3D-0D FFT in non-cubic cells.

This allows to make the FFT method the default for computing the Coulomb integrals used in DFT+U and DFT+U+V. The FFT can also now be used in domain parallelization. This makes the calculation of the Coulomb integrals much faster.

News snippet

Coulomb integrals for DFT+U and DFT+U+V are now computed using FFTs by default.

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.

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