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Fix an array bound mismatch.

Merged Nicolas Tancogne-Dejean requested to merge fix_array_bound into hotfix-10.3
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Description

Fix an array bound mismatch.

In the case of k-point symmetries, together with a k-point path, the copy routine was leading to an array bound mismatch, as the arrays of the original grids are allocated to the number of points in the full Brillouin zone, and not to the irreducible one.

The range of the DOS was also computed taking into account k-points in the path, which is now solved.

News snippet

Fix an array bound mismatch. The range of the DOS is now independent of the k-points in the path.

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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  • added 1 commit

    • 7269b202 - Bugfix: The range of the DOS was computed taking into account k-points in the path.

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  • Martin Lueders approved this merge request

    approved this merge request

  • Martin Lueders resolved all threads

    resolved all threads

  • Martin Lueders enabled an automatic merge when the pipeline for 7269b202 succeeds

    enabled an automatic merge when the pipeline for 7269b202 succeeds

  • Martin Lueders mentioned in commit 4ceb3f17

    mentioned in commit 4ceb3f17

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