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Bugfix to the Ewald2D for large slabs.

Nicolas Tancogne-Dejeanrequested to merge
fix_ewald2d into hotfix-9.2

Description

Bugfix to the Ewald2D for large slabs. In some rare cases, the value of rcut*dz_max is larger than 718, which produces infinity once the exponential is taken, causing a CPU infinity loop.

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Bugfix to the Ewald2D for large slabs.

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 Micael Oliveira

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