Skip to content

Fix a warning for atoms outside the box

Nicolas Tancogne-Dejeanrequested to merge
fix_warning_outside_box_mixed_periodicity into main

Description

Fix a warning for atoms outside the box

This occured because the tolerance for the check was too tight. Now the code uses a looser tolerance for the check, avoiding confusing warning.

News snippet

Fix a warning for atoms outside the box

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.

Merge request reports